A0A087Y226_POEFO Loading...

Cyclin-J

Essential for the control of the cell cycle at the G2/M (mitosis) transition.

AlphaFold DB , UniProt , Accession A0A087Y226, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 354 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M37.4Very low70.6Confident196 Ų196118.7 Ų118.797%0.96658%0.58SS**  0540-171.2177-84.400107.9E4M1-E4 WeakPolarHBondContact CG-OE2 3.41Å
2E37.4Very low72.6Confident163 Ų163118.2 Ų118.276%0.76258%0.581SS**  trans-121.8-3.7-173.9-61.8171.3130.900111.7
3L40.5Very low74.3Confident143 Ų143109.7 Ų109.775%0.74954%0.541SS*.SBendtrans-88.8-11.9178.6-75.3164.9000112.8
4E53.3Low75.9Confident139 Ų139105.9 Ų105.965%0.6554%0.536SS*.SBendtrans-72.6-37.8-178.8-66.7175.7158.900111.3M1 Q6M1-E4 WeakPolarHBondContact CG-OE2 3.41Å; E4-Q6 VanDerWaalsContact C-N 3.3Å; E4-Q6 PolarHBondContact O-N 2.95Å
5D66.2Low77.3Confident107 Ų107105.8 Ų105.857%0.57254%0.537SS*.SBendtrans-77.9-7.5-179-62.2-32.5000114.1W8D5-W8 WeakPolarHBondContact O-CH2 3.46Å; D5-W8 WeakPolarHBondContact O-CZ3 3.05Å
6Q85.5Confident78.5Confident69 Ų69103.1 Ų103.132%0.32252%0.524SS..  trans-126.756.6-170.3-58.8-172.520.500112.4E4 W8 K9E4-Q6 VanDerWaalsContact C-N 3.3Å; E4-Q6 PolarHBondContact O-N 2.95Å; Q6-W8 HydrophobicContact CB-CD2 4.36Å; Q6-W8 HydrophobicContact CB-CH2 4.22Å; Q6-W8 HydrophobicContact CB-CZ2 3.89Å; Q6-W8 HydrophobicContact CG-CH2 4Å; Q6-W8 HydrophobicContact CG-CZ2 3.7Å; Q6-W8 PolarHBondContact O-N 3.05Å; Q6-K9 HydrophobicContact CB-CD 4.37Å; Q6-K9 PolarHBondContact O-N 3Å; Q6-K9 VanDerWaalsContact OE1-CE 3.29Å
7W90.9Very high79.6Confident65 Ų6597.8 Ų97.825%0.24650%0.496CS..G310 helixtrans-50.5-31.4-175.770.1-99.6000114K9 G10 A13 I16 L20 H149 Y153W7-K9 PolarHBondContact O-N 3.26Å; W7-G10 PolarHBondContact O-N 3.18Å; W7-A13 HydrophobicContact CE3-CB 4.4Å; W7-A13 HydrophobicContact CZ3-CB 4.42Å; W7-A13 WeakPolarHBondContact CZ3-O 3.5Å; W7-I16 HydrophobicContact CB-CD1 4.13Å; W7-I16 HydrophobicContact CD2-CG2 3.81Å; W7-I16 HydrophobicContact CE3-CB 3.76Å; W7-I16 HydrophobicContact CE3-CD1 4.15Å; W7-I16 HydrophobicContact CE3-CG2 3.45Å; W7-I16 VanDerWaalsContact CE3-CG2 3.45Å; W7-I16 HydrophobicContact CG-CG2 4.49Å; W7-I16 HydrophobicContact CH2-CG2 4.29Å; W7-I16 HydrophobicContact CZ3-CB 3.97Å; W7-I16 HydrophobicContact CZ3-CG2 3.73Å; W7-L20 HydrophobicContact CH2-CD1 4.05Å; W7-L20 HydrophobicContact CZ2-CD1 3.96Å; W7-H149 WeakPolarHBondContact CZ2-O 3.37Å; W7-Y153 HydrophobicContact CH2-CD2 4.09Å; W7-Y153 AromaticContact CH2-CG 3.92Å; W7-Y153 HydrophobicContact CH2-CG 3.92Å; W7-Y153 AromaticContact CZ3-CD2 3.98Å; W7-Y153 HydrophobicContact CZ3-CD2 3.98Å; W7-Y153 HydrophobicContact CZ3-CG 4.28Å
8W92.8Very high80.6Confident47 Ų4798.4 Ų98.418%0.17850%0.497CS..G310 helixtrans-65.5-13.217955.799.8000114.6D5 Q6 A13 D152 Y153D5-W8 WeakPolarHBondContact O-CH2 3.46Å; D5-W8 WeakPolarHBondContact O-CZ3 3.05Å; Q6-W8 HydrophobicContact CB-CD2 4.36Å; Q6-W8 HydrophobicContact CB-CH2 4.22Å; Q6-W8 HydrophobicContact CB-CZ2 3.89Å; Q6-W8 HydrophobicContact CG-CH2 4Å; Q6-W8 HydrophobicContact CG-CZ2 3.7Å; Q6-W8 PolarHBondContact O-N 3.05Å; W8-A13 WeakPolarHBondContact O-CB 3.3Å; W8-D152 HydrophobicContact CD2-CB 3.58Å; W8-D152 VanDerWaalsContact CE2-CB 3.45Å; W8-D152 HydrophobicContact CE3-CB 3.82Å; W8-D152 HydrophobicContact CG-CB 4.13Å; W8-D152 HydrophobicContact CH2-CB 3.82Å; W8-D152 HydrophobicContact CZ2-CB 3.58Å; W8-D152 HydrophobicContact CZ3-CB 3.93Å; W8-Y153 HydrophobicContact CB-CD2 3.82Å; W8-Y153 HydrophobicContact CB-CG 4.41Å
9K90Very high81.5Confident135 Ų13595.8 Ų95.859%0.58749%0.492SS*.G310 helixtrans-98.9-5.8173.2-62.8-180-179.41710113.2Q6 W7Q6-K9 HydrophobicContact CB-CD 4.37Å; Q6-K9 PolarHBondContact O-N 3Å; Q6-K9 VanDerWaalsContact OE1-CE 3.29Å; W7-K9 PolarHBondContact O-N 3.26Å
10G89.6Confident82.4Confident39 Ų3991.5 Ų91.540%0.40247%0.469SS..SBendtrans-78.2161.5179.700000113.1W7 L12 A13W7-G10 PolarHBondContact O-N 3.18Å; G10-L12 PolarHBondContact O-N 2.81Å; G10-A13 WeakPolarHBondContact O-CB 3.48Å; G10-A13 PolarHBondContact O-N 3.02Å
11Q92.7Very high83.1Confident203 Ų20389.1 Ų89.195%0.94946%0.455SS*.THydrogen-bonded Turntrans-60.7-29.7176.3-66177.6-2.300112.6A13Q11-A13 VanDerWaalsContact C-N 3.31Å; Q11-A13 PolarHBondContact O-N 3.46Å
12L94.3Very high86Confident112 Ų11282.7 Ų82.759%0.58643%0.428SS*.THydrogen-bonded Turntrans-84.55.7177.7-58.8177000113.8G10 A14 D15 I16G10-L12 PolarHBondContact O-N 2.81Å; L12-A14 VanDerWaalsContact C-N 3.26Å; L12-A14 PolarHBondContact O-N 3.06Å; L12-D15 PolarHBondContact O-N 3.43Å; L12-I16 HydrophobicContact CB-CD1 4.08Å; L12-I16 HydrophobicContact CB-CG1 4.34Å; L12-I16 WeakPolarHBondContact O-CG1 3.35Å; L12-I16 PolarHBondContact O-N 2.99Å
13A95.6Very high88.8Confident8 Ų876.7 Ų76.77%0.06640%0.4CS..Hα-helixtrans-58.2-37-174.500000112.9W7 W8 G10 Q11 Y17 Y153W7-A13 HydrophobicContact CE3-CB 4.4Å; W7-A13 HydrophobicContact CZ3-CB 4.42Å; W7-A13 WeakPolarHBondContact CZ3-O 3.5Å; W8-A13 WeakPolarHBondContact O-CB 3.3Å; G10-A13 WeakPolarHBondContact O-CB 3.48Å; G10-A13 PolarHBondContact O-N 3.02Å; Q11-A13 VanDerWaalsContact C-N 3.31Å; Q11-A13 PolarHBondContact O-N 3.46Å; A13-Y17 WeakPolarHBondContact O-CB 3.38Å; A13-Y17 PolarHBondContact O-N 2.92Å; A13-Y153 HydrophobicContact CB-CD2 4.36Å; A13-Y153 HydrophobicContact CB-CE2 3.9Å
14A95.8Very high91.5Very high57 Ų5770.7 Ų70.747%0.47137%0.368SS..Hα-helixtrans-67.1-39.7175.600000112.6L12 Q18L12-A14 VanDerWaalsContact C-N 3.26Å; L12-A14 PolarHBondContact O-N 3.06Å; A14-Q18 WeakPolarHBondContact O-CB 3.46Å; A14-Q18 PolarHBondContact O-N 3.38Å
15D97.4Very high93.5Very high104 Ų10471 Ų7156%0.55637%0.373SS*.Hα-helixtrans-71.3-41.5179.3-57.6-58.6000111.7L12 Q18 A19L12-D15 PolarHBondContact O-N 3.43Å; D15-Q18 PolarHBondContact O-N 2.88Å; D15-A19 WeakPolarHBondContact O-CB 3.35Å; D15-A19 PolarHBondContact O-N 2.97Å
16I96.7Very high94.9Very high63 Ų6373.6 Ų73.632%0.32338%0.379SS..Hα-helixtrans-63.5-45.6174.6-64.8166.7000109.8W7 L12 Q18 A19 L20W7-I16 HydrophobicContact CB-CD1 4.13Å; W7-I16 HydrophobicContact CD2-CG2 3.81Å; W7-I16 HydrophobicContact CE3-CB 3.76Å; W7-I16 HydrophobicContact CE3-CD1 4.15Å; W7-I16 HydrophobicContact CE3-CG2 3.45Å; W7-I16 VanDerWaalsContact CE3-CG2 3.45Å; W7-I16 HydrophobicContact CG-CG2 4.49Å; W7-I16 HydrophobicContact CH2-CG2 4.29Å; W7-I16 HydrophobicContact CZ3-CB 3.97Å; W7-I16 HydrophobicContact CZ3-CG2 3.73Å; L12-I16 HydrophobicContact CB-CD1 4.08Å; L12-I16 HydrophobicContact CB-CG1 4.34Å; L12-I16 WeakPolarHBondContact O-CG1 3.35Å; L12-I16 PolarHBondContact O-N 2.99Å; I16-Q18 PolarHBondContact O-N 2.97Å; I16-A19 PolarHBondContact O-N 3.36Å; I16-L20 HydrophobicContact CG2-CD1 4.17Å; I16-L20 WeakPolarHBondContact O-CG 3.35Å; I16-L20 PolarHBondContact O-N 3.45Å
17Y97.7Very high95.4Very high13 Ų1372 Ų725%0.05137%0.373CS..Hα-helixtrans-57.5-48.6173.3178.1-110.3000111.4A13 A19 L20 R21 F150 Y153 Y154 L230 T231A13-Y17 WeakPolarHBondContact O-CB 3.38Å; A13-Y17 PolarHBondContact O-N 2.92Å; Y17-A19 VanDerWaalsContact C-N 3.31Å; Y17-A19 PolarHBondContact O-N 2.72Å; Y17-L20 WeakPolarHBondContact O-CB 3.4Å; Y17-L20 PolarHBondContact O-N 3.36Å; Y17-R21 HydrophobicContact CD1-CG 4.11Å; Y17-R21 HydrophobicContact CD2-CG 4.37Å; Y17-R21 HydrophobicContact CE1-CG 3.72Å; Y17-R21 HydrophobicContact CE2-CG 4Å; Y17-R21 HydrophobicContact CG-CG 4.43Å; Y17-R21 WeakPolarHBondContact O-CG 3.29Å; Y17-R21 PolarHBondContact O-N 3.16Å; Y17-R21 PolarHBondContact OH-NH1 3.09Å; Y17-F150 AromaticContact CD2-CD1 3.82Å; Y17-F150 HydrophobicContact CD2-CD1 3.82Å; Y17-F150 AromaticContact CD2-CE1 3.99Å; Y17-F150 HydrophobicContact CD2-CE1 3.99Å; Y17-F150 AromaticContact CE2-CD1 3.56Å; Y17-F150 HydrophobicContact CE2-CD1 3.56Å; Y17-F150 AromaticContact CE2-CE1 3.81Å; Y17-F150 HydrophobicContact CE2-CE1 3.81Å; Y17-Y153 HydrophobicContact CD1-CD1 4.37Å; Y17-Y153 AromaticContact CD1-CE1 3.6Å; Y17-Y153 HydrophobicContact CD1-CE1 3.6Å; Y17-Y153 AromaticContact CD2-CD1 3.36Å; Y17-Y153 HydrophobicContact CD2-CD1 3.36Å; Y17-Y153 AromaticContact CD2-CE1 3.46Å; Y17-Y153 HydrophobicContact CD2-CE1 3.46Å; Y17-Y153 VanDerWaalsContact CD2-CE1 3.46Å; Y17-Y153 HydrophobicContact CD2-CG 4.31Å; Y17-Y153 HydrophobicContact CE1-CE1 4.07Å; Y17-Y153 AromaticContact CE2-CD1 3.8Å; Y17-Y153 HydrophobicContact CE2-CD1 3.8Å; Y17-Y153 AromaticContact CE2-CE1 3.96Å; Y17-Y153 HydrophobicContact CE2-CE1 3.96Å; Y17-Y153 AromaticContact CG-CD1 3.68Å; Y17-Y153 HydrophobicContact CG-CD1 3.68Å; Y17-Y153 AromaticContact CG-CE1 3.26Å; Y17-Y153 HydrophobicContact CG-CE1 3.26Å; Y17-Y153 AromaticContact CG-CZ 3.94Å; Y17-Y154 HydrophobicContact CD2-CE1 4.41Å; Y17-Y154 AromaticContact CE2-CE1 3.45Å; Y17-Y154 HydrophobicContact CE2-CE1 3.45Å; Y17-Y154 VanDerWaalsContact CE2-CE1 3.45Å; Y17-Y154 AromaticContact CE2-CZ 3.88Å; Y17-Y154 AromaticContact CZ-CE1 3.77Å; Y17-Y154 PolarHBondContact OH-OH 2.94Å; Y17-L230 WeakPolarHBondContact CE1-O 3.37Å; Y17-T231 WeakPolarHBondContact OH-CA 3.19Å
18Q97.7Very high95.6Very high109 Ų10970.6 Ų70.651%0.50937%0.372SS..Hα-helixtrans-64.1-34.2178.8-172.857.44400112.5A14 D15 I16 R21 C22A14-Q18 WeakPolarHBondContact O-CB 3.46Å; A14-Q18 PolarHBondContact O-N 3.38Å; D15-Q18 PolarHBondContact O-N 2.88Å; I16-Q18 PolarHBondContact O-N 2.97Å; Q18-R21 PolarHBondContact O-N 3.17Å; Q18-C22 PolarHBondContact NE2-SG 3.05Å; Q18-C22 VanDerWaalsContact NE2-SG 3.39Å; Q18-C22 WeakPolarHBondContact O-CB 3.35Å; Q18-C22 PolarHBondContact O-N 3.49Å; Q18-C22 PolarHBondContact O-SG 2.87Å
19A97.6Very high95.6Very high48 Ų4873.4 Ų73.440%0.39740%0.399SS..Hα-helixtrans-64.5-44172.900000111.8D15 I16 Y17 C22 K23D15-A19 WeakPolarHBondContact O-CB 3.35Å; D15-A19 PolarHBondContact O-N 2.97Å; I16-A19 PolarHBondContact O-N 3.36Å; Y17-A19 VanDerWaalsContact C-N 3.31Å; Y17-A19 PolarHBondContact O-N 2.72Å; A19-C22 PolarHBondContact O-N 3.01Å; A19-K23 WeakPolarHBondContact O-CB 3.09Å; A19-K23 PolarHBondContact O-N 3.37Å
20L98Very high95.8Very high9 Ų968.4 Ų68.45%0.04738%0.377CS..Hα-helixtrans-61.8-43.5173.5-66.6164.9000111.4W7 I16 Y17 C22 K23 E24 Y143 P145 H149 F150W7-L20 HydrophobicContact CH2-CD1 4.05Å; W7-L20 HydrophobicContact CZ2-CD1 3.96Å; I16-L20 HydrophobicContact CG2-CD1 4.17Å; I16-L20 WeakPolarHBondContact O-CG 3.35Å; I16-L20 PolarHBondContact O-N 3.45Å; Y17-L20 WeakPolarHBondContact O-CB 3.4Å; Y17-L20 PolarHBondContact O-N 3.36Å; L20-C22 VanDerWaalsContact C-N 3.35Å; L20-C22 PolarHBondContact O-N 3.05Å; L20-K23 PolarHBondContact O-N 2.94Å; L20-K23 VanDerWaalsContact O-N 3.11Å; L20-E24 PolarHBondContact O-N 3.41Å; L20-Y143 HydrophobicContact CD2-CE2 4.08Å; L20-P145 HydrophobicContact CD2-CB 3.84Å; L20-H149 HydrophobicContact CD2-CB 4.42Å; L20-F150 HydrophobicContact CB-CD1 4.43Å; L20-F150 HydrophobicContact CB-CE1 3.47Å; L20-F150 VanDerWaalsContact CB-CE1 3.47Å; L20-F150 HydrophobicContact CB-CZ 3.62Å; L20-F150 HydrophobicContact CD1-CE1 4.34Å
21R97.9Very high96Very high43 Ų4373.2 Ų73.216%0.16239%0.386CS..Hα-helixtrans-61.9-37.6173.3-64.1-52.2-61.9-88.711.3112.7Y17 Q18 K23 E24 L25 F150 S203 T231 Y233Y17-R21 HydrophobicContact CD1-CG 4.11Å; Y17-R21 HydrophobicContact CD2-CG 4.37Å; Y17-R21 HydrophobicContact CE1-CG 3.72Å; Y17-R21 HydrophobicContact CE2-CG 4Å; Y17-R21 HydrophobicContact CG-CG 4.43Å; Y17-R21 WeakPolarHBondContact O-CG 3.29Å; Y17-R21 PolarHBondContact O-N 3.16Å; Y17-R21 PolarHBondContact OH-NH1 3.09Å; Q18-R21 PolarHBondContact O-N 3.17Å; R21-K23 VanDerWaalsContact C-N 3.3Å; R21-K23 PolarHBondContact O-N 3.17Å; R21-E24 IonicContact CZ-OE1 3.44Å; R21-E24 IonicContact NE-OE1 2.73Å; R21-E24 PolarHBondContact NE-OE1 3.42Å; R21-E24 IonicContact NH2-OE1 3.25Å; R21-E24 PolarHBondContact NH2-OE1 3.2Å; R21-E24 VanDerWaalsContact O-CG 3.26Å; R21-E24 WeakPolarHBondContact O-CG 3.27Å; R21-L25 WeakPolarHBondContact O-CG 3.02Å; R21-F150 HydrophobicContact CG-CE1 4.33Å; R21-S203 VanDerWaalsContact CZ-OG 3.3Å; R21-S203 PolarHBondContact NE-OG 2.78Å; R21-S203 VanDerWaalsContact NE-OG 3.1Å; R21-S203 PolarHBondContact NH2-OG 3.34Å; R21-T231 PolarHBondContact NH1-O 3.06Å; R21-Y233 PolarHBondContact NH2-OH 3.46Å
22C97.8Very high96.1Very high60 Ų6064.5 Ų64.541%0.40535%0.351SS..Hα-helixtrans-72.8-20.3174-75.70000113.7Q18 A19 L20Q18-C22 PolarHBondContact NE2-SG 3.05Å; Q18-C22 VanDerWaalsContact NE2-SG 3.39Å; Q18-C22 WeakPolarHBondContact O-CB 3.35Å; Q18-C22 PolarHBondContact O-N 3.49Å; Q18-C22 PolarHBondContact O-SG 2.87Å; A19-C22 PolarHBondContact O-N 3.01Å; L20-C22 VanDerWaalsContact C-N 3.35Å; L20-C22 PolarHBondContact O-N 3.05Å
23K97.4Very high95.9Very high38 Ų3866.5 Ų66.517%0.16536%0.357CS..Hα-helixtrans-90.6-35.8179.2-178.366.9174.1-1750112.7A19 L20 R21 L25 K26 N141 Y143 P145A19-K23 WeakPolarHBondContact O-CB 3.09Å; A19-K23 PolarHBondContact O-N 3.37Å; L20-K23 PolarHBondContact O-N 2.94Å; L20-K23 VanDerWaalsContact O-N 3.11Å; R21-K23 VanDerWaalsContact C-N 3.3Å; R21-K23 PolarHBondContact O-N 3.17Å; K23-L25 PolarHBondContact O-N 3.15Å; K23-K26 PolarHBondContact O-N 3.29Å; K23-N141 PolarHBondContact NZ-ND2 3.48Å; K23-N141 PolarHBondContact NZ-OD1 2.96Å; K23-Y143 HydrophobicContact CB-CE1 4.17Å; K23-Y143 HydrophobicContact CD-CD1 3.86Å; K23-Y143 HydrophobicContact CD-CE1 3.85Å; K23-Y143 VanDerWaalsContact CE-CD1 3.45Å; K23-Y143 WeakPolarHBondContact CE-O 3.26Å; K23-Y143 HydrophobicContact CG-CD1 4Å; K23-Y143 HydrophobicContact CG-CE1 3.66Å; K23-Y143 PolarHBondContact NZ-O 3.06Å; K23-P145 HydrophobicContact CB-CG 4.05Å; K23-P145 VanDerWaalsContact CG-CD 3.47Å; K23-P145 HydrophobicContact CG-CG 3.77Å
24E97.2Very high95.8Very high17 Ų1766.7 Ų66.78%0.07936%0.358CS..Hα-helixtrans-59.4-35.2175.863.3170.5-172.200112.4L20 R21 K26 L27 P145 S203L20-E24 PolarHBondContact O-N 3.41Å; R21-E24 IonicContact CZ-OE1 3.44Å; R21-E24 IonicContact NE-OE1 2.73Å; R21-E24 PolarHBondContact NE-OE1 3.42Å; R21-E24 IonicContact NH2-OE1 3.25Å; R21-E24 PolarHBondContact NH2-OE1 3.2Å; R21-E24 VanDerWaalsContact O-CG 3.26Å; R21-E24 WeakPolarHBondContact O-CG 3.27Å; E24-K26 PolarHBondContact O-N 3.08Å; E24-L27 HydrophobicContact CB-CD1 4Å; E24-L27 WeakPolarHBondContact O-CB 3.48Å; E24-L27 WeakPolarHBondContact O-CG 2.81Å; E24-L27 PolarHBondContact O-N 3.48Å; E24-L27 VanDerWaalsContact O-N 3.13Å; E24-P145 HydrophobicContact CB-CG 4.38Å; E24-S203 PolarHBondContact OE1-OG 3.25Å; E24-S203 WeakPolarHBondContact OE2-CB 3.26Å; E24-S203 PolarHBondContact OE2-N 3Å; E24-S203 PolarHBondContact OE2-OG 3.16Å
25L95.6Very high95.7Very high145 Ų14568.2 Ų68.276%0.75936%0.364SS*.THydrogen-bonded Turntrans-65.4-5.1175.2-62174.9000114R21 K23R21-L25 WeakPolarHBondContact O-CG 3.02Å; K23-L25 PolarHBondContact O-N 3.15Å
26K95.5Very high95.5Very high162 Ų16263.7 Ų63.770%0.70434%0.339SS*.THydrogen-bonded Turntrans-123.316179.9-56.7180-175.1177.90112.1K23 E24K23-K26 PolarHBondContact O-N 3.29Å; E24-K26 PolarHBondContact O-N 3.08Å
27L95.9Very high95.4Very high34 Ų3462.3 Ų62.318%0.17833%0.332CS..SBendtrans-67.9150.7175.1-77.1169.4000111.5E24 S29 Y66 L144 P202E24-L27 HydrophobicContact CB-CD1 4Å; E24-L27 WeakPolarHBondContact O-CB 3.48Å; E24-L27 WeakPolarHBondContact O-CG 2.81Å; E24-L27 PolarHBondContact O-N 3.48Å; E24-L27 VanDerWaalsContact O-N 3.13Å; L27-S29 PolarHBondContact O-N 3.37Å; L27-Y66 HydrophobicContact CD2-CE1 3.91Å; L27-L144 HydrophobicContact CD2-CB 4.02Å; L27-L144 HydrophobicContact CD2-CD2 3.7Å; L27-L144 HydrophobicContact CD2-CG 4.48Å; L27-P202 HydrophobicContact CD1-CG 3.65Å
28P94.6Very high95.2Very high37 Ų3768 Ų6824%0.2436%0.364CS..PPolyproline II helixtrans-58.1134.6172.4-25.336000112Y30 Y66 L70 L144P28-Y30 PolarHBondContact O-N 2.67Å; P28-Y66 PolarHBondContact O-OH 3.39Å; P28-L70 HydrophobicContact CB-CD1 3.82Å; P28-L70 HydrophobicContact CB-CD2 3.93Å; P28-L70 HydrophobicContact CG-CD1 3.76Å; P28-L144 HydrophobicContact CG-CD2 4.26Å
29S92.1Very high95.1Very high105 Ų10564.5 Ų64.573%0.73435%0.348SS*.PPolyproline II helixtrans-64.2129.6170.6-174.50000110.1L27L27-S29 PolarHBondContact O-N 3.37Å
30Y94.9Very high95.1Very high31 Ų3162.5 Ų62.512%0.12233%0.33CS..  trans-105.2133.4171.6175.4-99.7000109.1P28 G32 L37 D69 L70 D73 H195 L198P28-Y30 PolarHBondContact O-N 2.67Å; Y30-G32 VanDerWaalsContact CE1-CA 3.49Å; Y30-L37 WeakPolarHBondContact OH-CD2 3.37Å; Y30-D69 HydrophobicContact CD2-CB 4.48Å; Y30-D69 HydrophobicContact CE2-CB 3.99Å; Y30-L70 HydrophobicContact CD2-CD2 4.39Å; Y30-D73 HydrophobicContact CD2-CB 3.8Å; Y30-D73 HydrophobicContact CE2-CB 3.83Å; Y30-H195 HydrophobicContact CE1-CB 4.04Å; Y30-H195 AromaticContact CE1-ND1 3.8Å; Y30-H195 VanDerWaalsContact OH-CB 3.29Å; Y30-H195 WeakPolarHBondContact OH-CB 3.43Å; Y30-L198 HydrophobicContact CD1-CB 3.8Å; Y30-L198 HydrophobicContact CD1-CD1 3.8Å; Y30-L198 HydrophobicContact CD1-CG 4.45Å; Y30-L198 HydrophobicContact CD2-CD1 3.92Å; Y30-L198 HydrophobicContact CE1-CB 4.22Å; Y30-L198 HydrophobicContact CE1-CD1 3.79Å; Y30-L198 HydrophobicContact CE2-CD1 3.9Å; Y30-L198 HydrophobicContact CG-CB 4.3Å; Y30-L198 HydrophobicContact CG-CD1 3.85Å
31K94Very high95Very high139 Ų13968.6 Ų68.660%0.60435%0.353SS*.  trans-99.2-30-177-57.2168.2-174165.10112.8Q33 D73K31-Q33 HydrophobicContact CB-CB 4.3Å; K31-Q33 HydrophobicContact CB-CG 4Å; K31-D73 WeakPolarHBondContact CB-OD2 3.27Å; K31-D73 PolarHBondContact N-OD2 3.3Å
32G93.5Very high94.9Very high21 Ų2171.5 Ų71.522%0.21636%0.364CS..  trans67.843-17400000112.1Y30 L37 D73Y30-G32 VanDerWaalsContact CE1-CA 3.49Å; G32-L37 VanDerWaalsContact C-CD1 3.46Å; G32-L37 WeakPolarHBondContact O-CD1 3.41Å; G32-D73 PolarHBondContact N-OD1 2.93Å
33Q90.9Very high94.9Very high153 Ų15368.6 Ų68.672%0.71535%0.345SS*.  trans-118.92.4-175-68.9178.6-3.700114.3K31 D73K31-Q33 HydrophobicContact CB-CB 4.3Å; K31-Q33 HydrophobicContact CB-CG 4Å; Q33-D73 PolarHBondContact N-OD1 3.27Å
34S93Very high94.9Very high12 Ų1267 Ų678%0.08434%0.338CS..  trans-61.8136.9178.8177.50000112.9Q36 L37 M72S34-Q36 PolarHBondContact O-N 3.3Å; S34-Q36 VanDerWaalsContact O-N 3.16Å; S34-Q36 PolarHBondContact OG-N 3.48Å; S34-Q36 PolarHBondContact OG-NE2 3.11Å; S34-Q36 PolarHBondContact OG-OE1 3.47Å; S34-L37 VanDerWaalsContact O-CG 3.3Å; S34-L37 WeakPolarHBondContact O-CG 3.24Å; S34-L37 PolarHBondContact O-N 3.25Å; S34-M72 WeakPolarHBondContact CB-O 3.28Å; S34-M72 PolarHBondContact OG-O 3Å
35P93.6Very high94.9Very high90 Ų9068.9 Ų68.958%0.58435%0.349SS*.THydrogen-bonded Turntrans-71.9-0.9172.930.1-33.5000113.5N38 D76P35-N38 PolarHBondContact O-OD1 2.75Å; P35-D76 VanDerWaalsContact CD-OD1 3.27Å; P35-D76 WeakPolarHBondContact CD-OD1 3.44Å; P35-D76 WeakPolarHBondContact CG-OD1 3.37Å
36Q94Very high95Very high8 Ų862.5 Ų62.54%0.03732%0.316CS..THydrogen-bonded Turntrans-96.80.8175.7-51111.15300113.9S34 N38 L39 R40 M72 Y75 D76 V77 L82S34-Q36 PolarHBondContact O-N 3.3Å; S34-Q36 VanDerWaalsContact O-N 3.16Å; S34-Q36 PolarHBondContact OG-N 3.48Å; S34-Q36 PolarHBondContact OG-NE2 3.11Å; S34-Q36 PolarHBondContact OG-OE1 3.47Å; Q36-N38 PolarHBondContact O-N 2.97Å; Q36-N38 VanDerWaalsContact O-N 3.13Å; Q36-L39 HydrophobicContact CB-CD1 4.19Å; Q36-L39 WeakPolarHBondContact O-CA 3.39Å; Q36-L39 VanDerWaalsContact O-CB 3.23Å; Q36-L39 WeakPolarHBondContact O-CB 3.45Å; Q36-L39 PolarHBondContact O-N 2.96Å; Q36-R40 PolarHBondContact O-N 3.04Å; Q36-M72 HydrophobicContact CB-SD 4.16Å; Q36-Y75 PolarHBondContact NE2-O 3.43Å; Q36-Y75 VanDerWaalsContact NE2-O 3.08Å; Q36-Y75 PolarHBondContact OE1-O 3.22Å; Q36-D76 PolarHBondContact NE2-OD1 3.47Å; Q36-V77 WeakPolarHBondContact CG-O 3.45Å; Q36-L82 HydrophobicContact CB-CD2 4.08Å; Q36-L82 HydrophobicContact CG-CD2 4.37Å
37L93.9Very high95.1Very high34 Ų3454.9 Ų54.918%0.17828%0.283CS..Hα-helixtrans-61.3-27.3-171.4-69.7171.9000114.5Y30 G32 S34 L39 R40Y30-L37 WeakPolarHBondContact OH-CD2 3.37Å; G32-L37 VanDerWaalsContact C-CD1 3.46Å; G32-L37 WeakPolarHBondContact O-CD1 3.41Å; S34-L37 VanDerWaalsContact O-CG 3.3Å; S34-L37 WeakPolarHBondContact O-CG 3.24Å; S34-L37 PolarHBondContact O-N 3.25Å; L37-L39 PolarHBondContact O-N 3.43Å; L37-R40 VanDerWaalsContact O-CB 3.26Å; L37-R40 WeakPolarHBondContact O-CB 3.37Å; L37-R40 PolarHBondContact O-N 2.87Å; L37-R40 VanDerWaalsContact O-N 3.15Å
38N94.6Very high95.2Very high133 Ų13353.8 Ų53.871%0.71128%0.279SS*.Hα-helixtrans-63.8-16.7172.367.2-60.6000113.4P35 Q36P35-N38 PolarHBondContact O-OD1 2.75Å; Q36-N38 PolarHBondContact O-N 2.97Å; Q36-N38 VanDerWaalsContact O-N 3.13Å
39L95.8Very high95.2Very high35 Ų3557 Ų5718%0.18329%0.292CS..Hα-helixtrans-97.7-17.7178.2-50.9168.4000112.1Q36 L37 R41 Y42 F43 M79 L82Q36-L39 HydrophobicContact CB-CD1 4.19Å; Q36-L39 WeakPolarHBondContact O-CA 3.39Å; Q36-L39 VanDerWaalsContact O-CB 3.23Å; Q36-L39 WeakPolarHBondContact O-CB 3.45Å; Q36-L39 PolarHBondContact O-N 2.96Å; L37-L39 PolarHBondContact O-N 3.43Å; L39-R41 VanDerWaalsContact C-N 3.33Å; L39-R41 PolarHBondContact O-N 3.33Å; L39-Y42 WeakPolarHBondContact O-CB 3.44Å; L39-Y42 PolarHBondContact O-N 3.13Å; L39-F43 HydrophobicContact CB-CD2 4.25Å; L39-F43 HydrophobicContact CB-CE2 4.06Å; L39-F43 WeakPolarHBondContact O-CD2 3.36Å; L39-F43 PolarHBondContact O-N 3.48Å; L39-M79 HydrophobicContact CB-SD 4.46Å; L39-M79 HydrophobicContact CD1-CG 3.67Å; L39-M79 HydrophobicContact CD1-SD 3.58Å; L39-M79 VanDerWaalsContact CD1-SD 3.58Å; L39-M79 HydrophobicContact CD2-CE 3.9Å; L39-M79 HydrophobicContact CD2-CG 4.33Å; L39-M79 HydrophobicContact CD2-SD 3.73Å; L39-M79 HydrophobicContact CG-SD 4.11Å; L39-L82 HydrophobicContact CB-CD2 4.5Å; L39-L82 HydrophobicContact CD1-CD2 4.35Å
40R96.6Very high95.5Very high7 Ų752 Ų523%0.02626%0.258CS..Hα-helixtrans-49.8-49.6-175.2177.7-173.1179.9-76.7-9.7112.7Q36 L37 Y42 F43 A44 D69 M72 L192 Q193Q36-R40 PolarHBondContact O-N 3.04Å; L37-R40 VanDerWaalsContact O-CB 3.26Å; L37-R40 WeakPolarHBondContact O-CB 3.37Å; L37-R40 PolarHBondContact O-N 2.87Å; L37-R40 VanDerWaalsContact O-N 3.15Å; R40-Y42 VanDerWaalsContact C-N 3.31Å; R40-Y42 PolarHBondContact O-N 3.05Å; R40-F43 PolarHBondContact O-N 3.3Å; R40-F43 VanDerWaalsContact O-N 3.08Å; R40-A44 PolarHBondContact O-N 3.22Å; R40-D69 WeakPolarHBondContact CD-OD1 3.42Å; R40-D69 WeakPolarHBondContact CG-OD1 3.38Å; R40-D69 IonicContact CZ-OD1 3.46Å; R40-D69 IonicContact CZ-OD2 2.63Å; R40-D69 VanDerWaalsContact CZ-OD2 3.26Å; R40-D69 IonicContact NE-OD1 2.72Å; R40-D69 PolarHBondContact NE-OD1 3.24Å; R40-D69 IonicContact NE-OD2 2.83Å; R40-D69 PolarHBondContact NE-OD2 3.38Å; R40-D69 IonicContact NH2-OD1 3.59Å; R40-D69 IonicContact NH2-OD2 3.23Å; R40-D69 PolarHBondContact NH2-OD2 2.94Å; R40-M72 HydrophobicContact CB-CE 4.05Å; R40-M72 HydrophobicContact CG-CE 3.99Å; R40-L192 VanDerWaalsContact CZ-O 3.31Å; R40-L192 PolarHBondContact NH1-O 3.02Å; R40-L192 PolarHBondContact NH2-O 3.01Å; R40-Q193 VanDerWaalsContact NH1-C 3.31Å; R40-Q193 PolarHBondContact NH1-O 3.47Å
41R96.4Very high95.6Very high136 Ų13650.5 Ų50.551%0.51325%0.252SS..Hα-helixtrans-59-43.3-175.5-172.4172.2-176.3160.17.7111.7L39 F43 A44 D45L39-R41 VanDerWaalsContact C-N 3.33Å; L39-R41 PolarHBondContact O-N 3.33Å; R41-F43 VanDerWaalsContact C-N 3.32Å; R41-F43 PolarHBondContact O-N 3.47Å; R41-A44 PolarHBondContact O-N 3.02Å; R41-D45 WeakPolarHBondContact O-CB 3.48Å; R41-D45 PolarHBondContact O-N 3.44Å
42Y96.2Very high95.6Very high104 Ų10448.4 Ų48.441%0.40825%0.247SC..Hα-helixtrans-58.7-40.3175.4170.3-98.1000112.8L39 R40 L46 H83 M118L39-Y42 WeakPolarHBondContact O-CB 3.44Å; L39-Y42 PolarHBondContact O-N 3.13Å; R40-Y42 VanDerWaalsContact C-N 3.31Å; R40-Y42 PolarHBondContact O-N 3.05Å; Y42-L46 WeakPolarHBondContact O-CB 3.5Å; Y42-L46 PolarHBondContact O-N 3.11Å; Y42-H83 AromaticContact CE1-NE2 3.71Å; Y42-M118 PolarHBondContact OH-SD 3.41Å
43F97.3Very high95.7Very high0 Ų056.4 Ų56.40%027%0.271CS..Hα-helixtrans-76.2-32176.9-70.3-69.5000113.4L39 R40 R41 L46 I47 L68 M79 L82 H83 S86L39-F43 HydrophobicContact CB-CD2 4.25Å; L39-F43 HydrophobicContact CB-CE2 4.06Å; L39-F43 WeakPolarHBondContact O-CD2 3.36Å; L39-F43 PolarHBondContact O-N 3.48Å; R40-F43 PolarHBondContact O-N 3.3Å; R40-F43 VanDerWaalsContact O-N 3.08Å; R41-F43 VanDerWaalsContact C-N 3.32Å; R41-F43 PolarHBondContact O-N 3.47Å; F43-L46 HydrophobicContact CD1-CD2 4.23Å; F43-L46 PolarHBondContact O-N 3.43Å; F43-I47 WeakPolarHBondContact O-CB 3.29Å; F43-I47 VanDerWaalsContact O-CG1 3.29Å; F43-I47 WeakPolarHBondContact O-CG1 3.41Å; F43-I47 PolarHBondContact O-N 3.03Å; F43-L68 HydrophobicContact CB-CD2 3.62Å; F43-M79 HydrophobicContact CE2-SD 4.02Å; F43-M79 HydrophobicContact CZ-SD 4.09Å; F43-L82 HydrophobicContact CD2-CD2 3.79Å; F43-L82 HydrophobicContact CD2-CG 3.87Å; F43-L82 HydrophobicContact CE1-CG 4.49Å; F43-L82 HydrophobicContact CE2-CB 4.03Å; F43-L82 HydrophobicContact CE2-CD2 3.45Å; F43-L82 VanDerWaalsContact CE2-CD2 3.45Å; F43-L82 HydrophobicContact CE2-CG 3.57Å; F43-L82 HydrophobicContact CG-CG 4.47Å; F43-L82 HydrophobicContact CZ-CB 3.92Å; F43-L82 HydrophobicContact CZ-CD2 4.22Å; F43-L82 HydrophobicContact CZ-CG 3.91Å; F43-H83 HydrophobicContact CE1-CB 4.28Å; F43-H83 AromaticContact CE1-CD2 3.76Å; F43-H83 AromaticContact CE1-CE1 3.9Å; F43-H83 AromaticContact CE1-CG 3.69Å; F43-H83 AromaticContact CE1-ND1 3.79Å; F43-H83 AromaticContact CE1-NE2 3.9Å; F43-H83 AromaticContact CZ-CE1 3.68Å; F43-H83 AromaticContact CZ-ND1 3.67Å; F43-S86 VanDerWaalsContact CD1-OG 3.3Å; F43-S86 WeakPolarHBondContact CD1-OG 3.46Å
44A97.9Very high95.9Very high3 Ų351.2 Ų51.23%0.02525%0.246CC..Hα-helixtrans-63.9-44.117000000111.3R40 R41 I47 A48 V65R40-A44 PolarHBondContact O-N 3.22Å; R41-A44 PolarHBondContact O-N 3.02Å; A44-I47 PolarHBondContact O-N 3.12Å; A44-A48 WeakPolarHBondContact O-CB 3.36Å; A44-A48 PolarHBondContact O-N 3.3Å; A44-V65 HydrophobicContact CB-CG1 4.49Å; A44-V65 HydrophobicContact CB-CG2 4.36Å
45D96.9Very high96Very high58 Ų5855.7 Ų55.731%0.3128%0.276SS..Hα-helixtrans-62.6-43.1173.9-71.1-33.7000111.8R41 A48 I49 Q193R41-D45 WeakPolarHBondContact O-CB 3.48Å; R41-D45 PolarHBondContact O-N 3.44Å; D45-A48 PolarHBondContact O-N 3.48Å; D45-I49 WeakPolarHBondContact O-CB 3.49Å; D45-I49 WeakPolarHBondContact O-CD1 3.4Å; D45-I49 VanDerWaalsContact O-CG1 3.22Å; D45-I49 WeakPolarHBondContact O-CG1 3.41Å; D45-I49 PolarHBondContact O-N 2.94Å; D45-Q193 PolarHBondContact OD1-NE2 3.33Å; D45-Q193 PolarHBondContact OD1-OE1 2.76Å
46L96.7Very high96.1Very high10 Ų1051.7 Ų51.75%0.05225%0.25CS..Hα-helixtrans-60.9-45.6174.9178.560.9000111.8Y42 F43 I49 I50 C114 M115 M118Y42-L46 WeakPolarHBondContact O-CB 3.5Å; Y42-L46 PolarHBondContact O-N 3.11Å; F43-L46 HydrophobicContact CD1-CD2 4.23Å; F43-L46 PolarHBondContact O-N 3.43Å; L46-I49 PolarHBondContact O-N 3.4Å; L46-I50 HydrophobicContact CD1-CD1 3.84Å; L46-I50 HydrophobicContact CD1-CG1 4.32Å; L46-I50 HydrophobicContact CG-CD1 4.04Å; L46-I50 VanDerWaalsContact O-CG1 3.29Å; L46-I50 WeakPolarHBondContact O-CG1 3.32Å; L46-I50 PolarHBondContact O-N 3.2Å; L46-I50 VanDerWaalsContact O-N 3.07Å; L46-C114 HydrophobicContact CD1-CB 4.46Å; L46-M115 HydrophobicContact CD1-CE 4.35Å; L46-M118 HydrophobicContact CD1-CE 3.65Å; L46-M118 HydrophobicContact CD1-SD 4.3Å; L46-M118 HydrophobicContact CD2-CE 3.89Å; L46-M118 HydrophobicContact CD2-SD 3.87Å; L46-M118 HydrophobicContact CG-CE 4.45Å
47I98.3Very high96.2Very high2 Ų252.8 Ų52.81%0.0126%0.258CS..Hα-helixtrans-60-46.9174.9-74.9168.1000110.2F43 A44 I49 I50 C51 R61 A64 V65 L68 L90F43-I47 WeakPolarHBondContact O-CB 3.29Å; F43-I47 VanDerWaalsContact O-CG1 3.29Å; F43-I47 WeakPolarHBondContact O-CG1 3.41Å; F43-I47 PolarHBondContact O-N 3.03Å; A44-I47 PolarHBondContact O-N 3.12Å; I47-I49 PolarHBondContact O-N 2.98Å; I47-I50 PolarHBondContact O-N 3.11Å; I47-C51 WeakPolarHBondContact O-CB 3.44Å; I47-C51 PolarHBondContact O-N 2.91Å; I47-C51 PolarHBondContact O-SG 3.43Å; I47-R61 HydrophobicContact CG2-CG 4.18Å; I47-A64 HydrophobicContact CD1-CB 4.34Å; I47-A64 HydrophobicContact CG2-CB 3.96Å; I47-V65 HydrophobicContact CB-CG2 4.33Å; I47-V65 HydrophobicContact CD1-CG2 4.07Å; I47-V65 HydrophobicContact CG2-CG2 3.96Å; I47-L68 HydrophobicContact CD1-CD2 3.95Å; I47-L90 HydrophobicContact CG2-CD1 4.3Å
48A97.4Very high96.3Very high12 Ų1253.4 Ų53.410%0.09926%0.264CS..Hα-helixtrans-61.5-45.1179.100000112.3A44 D45 I50 C51 N52A44-A48 WeakPolarHBondContact O-CB 3.36Å; A44-A48 PolarHBondContact O-N 3.3Å; D45-A48 PolarHBondContact O-N 3.48Å; A48-I50 VanDerWaalsContact C-N 3.32Å; A48-I50 PolarHBondContact O-N 2.89Å; A48-C51 PolarHBondContact O-N 3.4Å; A48-N52 VanDerWaalsContact O-CB 3.32Å; A48-N52 WeakPolarHBondContact O-CB 3.45Å; A48-N52 PolarHBondContact O-N 3.05Å; A48-N52 PolarHBondContact O-ND2 3.47Å; A48-N52 PolarHBondContact O-OD1 3.42Å
49I96.3Very high96.5Very high103 Ų10347.9 Ų47.953%0.52824%0.237SC..Hα-helixtrans-57.1-44.5175.4-72.1163.2000111.2D45 L46 I47 N52 R53D45-I49 WeakPolarHBondContact O-CB 3.49Å; D45-I49 WeakPolarHBondContact O-CD1 3.4Å; D45-I49 VanDerWaalsContact O-CG1 3.22Å; D45-I49 WeakPolarHBondContact O-CG1 3.41Å; D45-I49 PolarHBondContact O-N 2.94Å; L46-I49 PolarHBondContact O-N 3.4Å; I47-I49 PolarHBondContact O-N 2.98Å; I49-N52 PolarHBondContact O-N 3.13Å; I49-R53 WeakPolarHBondContact O-CB 3.49Å; I49-R53 PolarHBondContact O-N 3.38Å
50I96.6Very high96.6Very high0 Ų046.2 Ų46.20%023%0.228CC..Hα-helixtrans-71.4-43.6-179.6-63.9170.5000110.8L46 I47 A48 N52 R53 F54 L87 L90 L109 L112 M115L46-I50 HydrophobicContact CD1-CD1 3.84Å; L46-I50 HydrophobicContact CD1-CG1 4.32Å; L46-I50 HydrophobicContact CG-CD1 4.04Å; L46-I50 VanDerWaalsContact O-CG1 3.29Å; L46-I50 WeakPolarHBondContact O-CG1 3.32Å; L46-I50 PolarHBondContact O-N 3.2Å; L46-I50 VanDerWaalsContact O-N 3.07Å; I47-I50 PolarHBondContact O-N 3.11Å; A48-I50 VanDerWaalsContact C-N 3.32Å; A48-I50 PolarHBondContact O-N 2.89Å; I50-N52 VanDerWaalsContact C-N 3.28Å; I50-N52 PolarHBondContact O-N 2.9Å; I50-R53 PolarHBondContact O-N 2.89Å; I50-R53 VanDerWaalsContact O-N 3.08Å; I50-F54 HydrophobicContact CG2-CD2 3.75Å; I50-F54 HydrophobicContact CG2-CE2 3.86Å; I50-F54 WeakPolarHBondContact O-CD2 3.44Å; I50-F54 PolarHBondContact O-N 3.21Å; I50-L87 HydrophobicContact CD1-CD2 3.35Å; I50-L90 HydrophobicContact CB-CD2 3.85Å; I50-L90 HydrophobicContact CG2-CD2 3.54Å; I50-L109 HydrophobicContact CG2-CD2 3.97Å; I50-L112 HydrophobicContact CD1-CD1 4.43Å; I50-L112 HydrophobicContact CG1-CD1 3.98Å; I50-L112 HydrophobicContact CG2-CD1 4.26Å; I50-M115 HydrophobicContact CD1-CE 3.77Å
51C97Very high96.7Very high0 Ų046.7 Ų46.70%023%0.23CC..Hα-helixtrans-56.2-44174-67.20000111.5I47 A48 R53 F54 C55 L56 R61 L90I47-C51 WeakPolarHBondContact O-CB 3.44Å; I47-C51 PolarHBondContact O-N 2.91Å; I47-C51 PolarHBondContact O-SG 3.43Å; A48-C51 PolarHBondContact O-N 3.4Å; C51-R53 VanDerWaalsContact C-N 3.3Å; C51-R53 PolarHBondContact O-N 2.84Å; C51-F54 CarbonylContact O-C 3.59Å; C51-F54 PolarHBondContact O-N 3.13Å; C51-C55 WeakPolarHBondContact O-CA 3.2Å; C51-C55 PolarHBondContact O-N 3.16Å; C51-L56 HydrophobicContact CB-CB 4.11Å; C51-L56 HydrophobicContact CB-CD1 4.42Å; C51-L56 PolarHBondContact O-N 3.18Å; C51-R61 HydrophobicContact CB-CB 4.27Å; C51-R61 HydrophobicContact CB-CG 4.15Å; C51-L90 WeakPolarHBondContact SG-CD1 3.26Å
52N95.2Very high96.8Very high96 Ų9640.6 Ų40.651%0.51321%0.207SC..Hα-helixtrans-69.8-26.7179.2-64.2-8.4000112.4A48 I49 I50 R61A48-N52 VanDerWaalsContact O-CB 3.32Å; A48-N52 WeakPolarHBondContact O-CB 3.45Å; A48-N52 PolarHBondContact O-N 3.05Å; A48-N52 PolarHBondContact O-ND2 3.47Å; A48-N52 PolarHBondContact O-OD1 3.42Å; I49-N52 PolarHBondContact O-N 3.13Å; I50-N52 VanDerWaalsContact C-N 3.28Å; I50-N52 PolarHBondContact O-N 2.9Å; N52-R61 PolarHBondContact OD1-NH2 2.85Å
53R95Very high96.9Very high188 Ų18835.6 Ų35.671%0.70919%0.188SC*.Hα-helixtrans-76.2-30.2174.8-179.156.1178.3-175.10.7113.5I49 I50 C51 L112I49-R53 WeakPolarHBondContact O-CB 3.49Å; I49-R53 PolarHBondContact O-N 3.38Å; I50-R53 PolarHBondContact O-N 2.89Å; I50-R53 VanDerWaalsContact O-N 3.08Å; C51-R53 VanDerWaalsContact C-N 3.3Å; C51-R53 PolarHBondContact O-N 2.84Å; R53-L112 HydrophobicContact CG-CD2 3.85Å
54F95Very high97Very high45 Ų4535.6 Ų35.620%0.19719%0.188CC..Hα-helixtrans-1011.3177.3-71.5-75.2000113.9I50 C51 L56 P104 T108 L109 L112I50-F54 HydrophobicContact CG2-CD2 3.75Å; I50-F54 HydrophobicContact CG2-CE2 3.86Å; I50-F54 WeakPolarHBondContact O-CD2 3.44Å; I50-F54 PolarHBondContact O-N 3.21Å; C51-F54 CarbonylContact O-C 3.59Å; C51-F54 PolarHBondContact O-N 3.13Å; F54-L56 VanDerWaalsContact C-N 3.28Å; F54-L56 HydrophobicContact CB-CD1 4.43Å; F54-L56 HydrophobicContact CB-CD2 3.84Å; F54-L56 HydrophobicContact CB-CG 3.84Å; F54-L56 PolarHBondContact O-N 2.95Å; F54-P104 HydrophobicContact CB-CG 4.29Å; F54-P104 HydrophobicContact CD1-CB 4.29Å; F54-P104 HydrophobicContact CD1-CG 4.31Å; F54-P104 HydrophobicContact CD2-CB 4.01Å; F54-P104 HydrophobicContact CD2-CG 3.82Å; F54-P104 HydrophobicContact CE1-CB 4.15Å; F54-P104 HydrophobicContact CE2-CB 3.86Å; F54-P104 HydrophobicContact CE2-CG 4.19Å; F54-P104 HydrophobicContact CG-CB 4.24Å; F54-P104 HydrophobicContact CG-CG 3.89Å; F54-P104 HydrophobicContact CZ-CB 3.94Å; F54-T108 HydrophobicContact CE1-CG2 3.69Å; F54-T108 HydrophobicContact CZ-CG2 3.84Å; F54-L109 HydrophobicContact CE2-CD2 3.8Å; F54-L109 HydrophobicContact CZ-CD2 4.32Å; F54-L112 HydrophobicContact CE2-CD1 4.08Å; F54-L112 HydrophobicContact CE2-CD2 4.48Å
55C95Very high97Very high106 Ų10635.6 Ų35.672%0.71619%0.187SC*.THydrogen-bonded Turntrans55.638.7-174.6-59.20000113.7C51C51-C55 WeakPolarHBondContact O-CA 3.2Å; C51-C55 PolarHBondContact O-N 3.16Å
56L96.4Very high97.1Very high6 Ų634 Ų343%0.03118%0.177CC..  trans-70.3147.8177.9-52.4-177.9000111.4C51 F54 A60 L90 E98 R102 P104C51-L56 HydrophobicContact CB-CB 4.11Å; C51-L56 HydrophobicContact CB-CD1 4.42Å; C51-L56 PolarHBondContact O-N 3.18Å; F54-L56 VanDerWaalsContact C-N 3.28Å; F54-L56 HydrophobicContact CB-CD1 4.43Å; F54-L56 HydrophobicContact CB-CD2 3.84Å; F54-L56 HydrophobicContact CB-CG 3.84Å; F54-L56 PolarHBondContact O-N 2.95Å; L56-A60 HydrophobicContact CB-CB 4.44Å; L56-L90 HydrophobicContact CD1-CD1 3.92Å; L56-E98 WeakPolarHBondContact CA-OE1 3.46Å; L56-E98 HydrophobicContact CD2-CG 4.18Å; L56-R102 WeakPolarHBondContact CD2-O 3.08Å; L56-P104 HydrophobicContact CD1-CG 4.05Å; L56-P104 HydrophobicContact CD2-CG 4.32Å
57C95.7Very high97.1Very high30 Ų3033.6 Ų33.620%0.20318%0.175CC..  trans-68.8157.5-177.669.30000112.7A59 A60 R61 E98C57-A59 PolarHBondContact O-N 3.24Å; C57-A60 PolarHBondContact O-N 2.85Å; C57-A60 PolarHBondContact SG-N 2.95Å; C57-A60 VanDerWaalsContact SG-N 3.39Å; C57-R61 PolarHBondContact O-N 3.31Å; C57-R61 VanDerWaalsContact O-N 3.16Å; C57-E98 PolarHBondContact N-OE1 2.95Å; C57-E98 PolarHBondContact SG-OE1 3.4Å
58P96.9Very high97.2Very high47 Ų4733.6 Ų33.631%0.30518%0.175SC..Hα-helixtrans-57.9-33.3175.5-2636.1000113.5R61 H62 A148P58-R61 PolarHBondContact O-N 2.9Å; P58-H62 WeakPolarHBondContact O-CB 3.3Å; P58-H62 PolarHBondContact O-CD2 3.38Å; P58-H62 PolarHBondContact O-N 3.25Å; P58-A148 HydrophobicContact CB-CB 3.75Å
59A97.3Very high97.2Very high17 Ų1733 Ų3314%0.1417%0.17CC..Hα-helixtrans-60.9-49.4177.300000111.6C57 R61 H62 L63 E97C57-A59 PolarHBondContact O-N 3.24Å; A59-R61 PolarHBondContact O-N 2.83Å; A59-H62 PolarHBondContact O-N 3.41Å; A59-L63 VanDerWaalsContact O-CB 3.28Å; A59-L63 WeakPolarHBondContact O-CB 3.48Å; A59-L63 PolarHBondContact O-N 3.1Å; A59-E97 HydrophobicContact CB-CB 4.33Å; A59-E97 HydrophobicContact CB-CG 4.07Å; A59-E97 WeakPolarHBondContact CB-OE2 3.44Å
60A98.1Very high97.2Very high0 Ų028.2 Ų28.20%015%0.146CC..Hα-helixtrans-58.9-46.3175.500000112.2L56 C57 L63 A64 A93 E97 E98L56-A60 HydrophobicContact CB-CB 4.44Å; C57-A60 PolarHBondContact O-N 2.85Å; C57-A60 PolarHBondContact SG-N 2.95Å; C57-A60 VanDerWaalsContact SG-N 3.39Å; A60-L63 PolarHBondContact O-N 2.73Å; A60-A64 VanDerWaalsContact O-CB 3.27Å; A60-A64 WeakPolarHBondContact O-CB 3.29Å; A60-A64 PolarHBondContact O-N 3.47Å; A60-A93 WeakPolarHBondContact O-CB 3.26Å; A60-E97 HydrophobicContact CB-CB 3.99Å; A60-E97 HydrophobicContact CB-CG 4.4Å; A60-E98 HydrophobicContact CB-CG 4.29Å
61R98.4Very high97.3Very high18 Ų1828.7 Ų28.77%0.06815%0.147CC..Hα-helixtrans-61.8-47.8178.6-169.4-171-63.194.88.8111.8I47 C51 N52 C57 P58 A59 A64 V65 E189 L192I47-R61 HydrophobicContact CG2-CG 4.18Å; C51-R61 HydrophobicContact CB-CB 4.27Å; C51-R61 HydrophobicContact CB-CG 4.15Å; N52-R61 PolarHBondContact OD1-NH2 2.85Å; C57-R61 PolarHBondContact O-N 3.31Å; C57-R61 VanDerWaalsContact O-N 3.16Å; P58-R61 PolarHBondContact O-N 2.9Å; A59-R61 PolarHBondContact O-N 2.83Å; R61-A64 PolarHBondContact O-N 2.88Å; R61-V65 PolarHBondContact O-N 3.12Å; R61-E189 VanDerWaalsContact CD-CD 3.49Å; R61-E189 WeakPolarHBondContact CD-OE1 3.49Å; R61-E189 WeakPolarHBondContact CD-OE2 3.45Å; R61-E189 IonicContact CZ-OE1 2.73Å; R61-E189 VanDerWaalsContact CZ-OE1 3.26Å; R61-E189 IonicContact CZ-OE2 2.95Å; R61-E189 IonicContact NE-OE1 3.52Å; R61-E189 PolarHBondContact NE-OE1 2.86Å; R61-E189 IonicContact NE-OE2 3.73Å; R61-E189 PolarHBondContact NE-OE2 2.86Å; R61-E189 IonicContact NH1-OE1 3.95Å; R61-E189 PolarHBondContact NH1-OE1 3.32Å; R61-E189 IonicContact NH1-OE2 3.93Å; R61-L192 HydrophobicContact CG-CD1 3.91Å
62H98.6Very high97.3Very high7 Ų728.8 Ų28.83%0.03215%0.148CC..Hα-helixtrans-66.7-41.5179.7-82.2-109.8000112.4P58 A59 V65 Y66 T146 A148 L188 L192P58-H62 WeakPolarHBondContact O-CB 3.3Å; P58-H62 PolarHBondContact O-CD2 3.38Å; P58-H62 PolarHBondContact O-N 3.25Å; A59-H62 PolarHBondContact O-N 3.41Å; H62-V65 PolarHBondContact O-N 3.37Å; H62-Y66 WeakPolarHBondContact O-CB 3.23Å; H62-Y66 PolarHBondContact O-N 2.67Å; H62-T146 HydrophobicContact CB-CG2 3.97Å; H62-T146 WeakPolarHBondContact CB-OG1 3.39Å; H62-A148 HydrophobicContact CB-CB 4.19Å; H62-L188 PolarHBondContact CE1-O 2.81Å; H62-L192 HydrophobicContact CB-CD2 4.3Å; H62-L192 WeakPolarHBondContact ND1-CD2 3.15Å
63L98.7Very high97.3Very high0 Ų025 Ų250%013%0.128CC..Hα-helixtrans-65.4-40.9177.8179.460.5000110.8A59 A60 V65 Y66 L67 A93 F96 E97 L144A59-L63 VanDerWaalsContact O-CB 3.28Å; A59-L63 WeakPolarHBondContact O-CB 3.48Å; A59-L63 PolarHBondContact O-N 3.1Å; A60-L63 PolarHBondContact O-N 2.73Å; L63-V65 PolarHBondContact O-N 2.8Å; L63-Y66 PolarHBondContact O-N 2.96Å; L63-L67 HydrophobicContact CD1-CD1 4.17Å; L63-L67 HydrophobicContact CD1-CD2 4.34Å; L63-L67 HydrophobicContact CD1-CG 3.97Å; L63-L67 HydrophobicContact CG-CD1 3.95Å; L63-L67 HydrophobicContact CG-CG 4.24Å; L63-L67 WeakPolarHBondContact O-CB 3.36Å; L63-L67 VanDerWaalsContact O-CG 3.24Å; L63-L67 WeakPolarHBondContact O-CG 3.4Å; L63-L67 PolarHBondContact O-N 3.25Å; L63-A93 HydrophobicContact CB-CB 3.92Å; L63-A93 HydrophobicContact CD2-CB 4.02Å; L63-A93 HydrophobicContact CG-CB 3.85Å; L63-F96 HydrophobicContact CD2-CB 4.36Å; L63-F96 HydrophobicContact CD2-CD1 3.63Å; L63-F96 HydrophobicContact CD2-CE1 4.39Å; L63-F96 HydrophobicContact CD2-CG 4.31Å; L63-E97 HydrophobicContact CD2-CG 3.95Å; L63-E97 WeakPolarHBondContact CD2-OE1 3.46Å; L63-L144 HydrophobicContact CD1-CB 3.92Å; L63-L144 HydrophobicContact CD1-CD1 4.35Å
64A98.8Very high97.2Very high0 Ų022 Ų220%012%0.117CC..Hα-helixtrans-57.4-46.5176.100000112.8I47 A60 R61 L68 C89 L90 A93I47-A64 HydrophobicContact CD1-CB 4.34Å; I47-A64 HydrophobicContact CG2-CB 3.96Å; A60-A64 VanDerWaalsContact O-CB 3.27Å; A60-A64 WeakPolarHBondContact O-CB 3.29Å; A60-A64 PolarHBondContact O-N 3.47Å; R61-A64 PolarHBondContact O-N 2.88Å; A64-L68 WeakPolarHBondContact O-CB 3.37Å; A64-L68 PolarHBondContact O-N 2.82Å; A64-L68 VanDerWaalsContact O-N 3.13Å; A64-C89 WeakPolarHBondContact O-CB 3.44Å; A64-L90 HydrophobicContact CB-CB 4.11Å; A64-L90 HydrophobicContact CB-CD1 3.87Å; A64-A93 HydrophobicContact CB-CB 3.88Å
65V98.6Very high97.2Very high2 Ų224.3 Ų24.31%0.01213%0.125CC..Hα-helixtrans-68-40.6177176.10000111.2A44 I47 R61 H62 L63 L68 D69 L192A44-V65 HydrophobicContact CB-CG1 4.49Å; A44-V65 HydrophobicContact CB-CG2 4.36Å; I47-V65 HydrophobicContact CB-CG2 4.33Å; I47-V65 HydrophobicContact CD1-CG2 4.07Å; I47-V65 HydrophobicContact CG2-CG2 3.96Å; R61-V65 PolarHBondContact O-N 3.12Å; H62-V65 PolarHBondContact O-N 3.37Å; L63-V65 PolarHBondContact O-N 2.8Å; V65-L68 WeakPolarHBondContact O-CB 3.47Å; V65-L68 PolarHBondContact O-N 3.06Å; V65-D69 WeakPolarHBondContact O-CB 3.34Å; V65-D69 PolarHBondContact O-N 3.2Å; V65-L192 HydrophobicContact CB-CD2 4.09Å; V65-L192 HydrophobicContact CG1-CD2 4.13Å; V65-L192 HydrophobicContact CG2-CD1 4.24Å; V65-L192 HydrophobicContact CG2-CD2 4.47Å
66Y98.4Very high97.2Very high26 Ų2625.5 Ų25.510%0.10212%0.124CC..Hα-helixtrans-67-38.9179.3-174.2-121.2000113.1L27 P28 H62 L63 D69 L70 L144 L198L27-Y66 HydrophobicContact CD2-CE1 3.91Å; P28-Y66 PolarHBondContact O-OH 3.39Å; H62-Y66 WeakPolarHBondContact O-CB 3.23Å; H62-Y66 PolarHBondContact O-N 2.67Å; L63-Y66 PolarHBondContact O-N 2.96Å; Y66-D69 PolarHBondContact O-N 3.23Å; Y66-L70 HydrophobicContact CD1-CD1 4.1Å; Y66-L70 HydrophobicContact CD2-CG 4.37Å; Y66-L70 HydrophobicContact CE1-CD1 3.56Å; Y66-L70 HydrophobicContact CE1-CG 4.34Å; Y66-L70 HydrophobicContact CE2-CD1 4.09Å; Y66-L70 HydrophobicContact CE2-CD2 4.21Å; Y66-L70 HydrophobicContact CE2-CG 4Å; Y66-L70 WeakPolarHBondContact O-CB 3.38Å; Y66-L70 WeakPolarHBondContact O-CG 3.47Å; Y66-L70 PolarHBondContact O-N 3.25Å; Y66-L144 HydrophobicContact CD1-CB 4.1Å; Y66-L144 HydrophobicContact CD1-CD1 4.2Å; Y66-L144 HydrophobicContact CE1-CB 4Å; Y66-L144 HydrophobicContact CE1-CD1 4.1Å; Y66-L144 HydrophobicContact CE1-CD2 4.45Å; Y66-L144 HydrophobicContact CE1-CG 4.42Å; Y66-L198 HydrophobicContact CD2-CD2 3.72Å; Y66-L198 HydrophobicContact CE2-CD2 4.02Å
67L98.6Very high97.1Very high1 Ų126 Ų261%0.00513%0.127CC..Hα-helixtrans-62.5-42.9172-68.6170.3000111.2L63 F71 C89 A93 F138 L142 L144L63-L67 HydrophobicContact CD1-CD1 4.17Å; L63-L67 HydrophobicContact CD1-CD2 4.34Å; L63-L67 HydrophobicContact CD1-CG 3.97Å; L63-L67 HydrophobicContact CG-CD1 3.95Å; L63-L67 HydrophobicContact CG-CG 4.24Å; L63-L67 WeakPolarHBondContact O-CB 3.36Å; L63-L67 VanDerWaalsContact O-CG 3.24Å; L63-L67 WeakPolarHBondContact O-CG 3.4Å; L63-L67 PolarHBondContact O-N 3.25Å; L67-F71 WeakPolarHBondContact O-CB 3.38Å; L67-F71 PolarHBondContact O-N 2.68Å; L67-C89 HydrophobicContact CB-CB 4.05Å; L67-A93 HydrophobicContact CD1-CB 4.38Å; L67-F138 HydrophobicContact CB-CE2 4.15Å; L67-F138 HydrophobicContact CB-CZ 4.33Å; L67-F138 HydrophobicContact CD2-CD1 4.28Å; L67-F138 HydrophobicContact CD2-CD2 3.56Å; L67-F138 HydrophobicContact CD2-CE1 4.21Å; L67-F138 HydrophobicContact CD2-CE2 3.48Å; L67-F138 VanDerWaalsContact CD2-CE2 3.48Å; L67-F138 HydrophobicContact CD2-CG 4Å; L67-F138 HydrophobicContact CD2-CZ 3.84Å; L67-F138 HydrophobicContact CG-CE2 4.39Å; L67-F138 WeakPolarHBondContact O-CZ 3.29Å; L67-L142 HydrophobicContact CD1-CD2 4.21Å; L67-L142 HydrophobicContact CD2-CD2 3.84Å; L67-L144 HydrophobicContact CD2-CD1 3.8Å
68L98.4Very high97Very high1 Ų128.3 Ų28.31%0.00514%0.14CC..Hα-helixtrans-61.8-46.3176176.765.5000111.8F43 I47 A64 V65 F71 M72 L82 V85 C89F43-L68 HydrophobicContact CB-CD2 3.62Å; I47-L68 HydrophobicContact CD1-CD2 3.95Å; A64-L68 WeakPolarHBondContact O-CB 3.37Å; A64-L68 PolarHBondContact O-N 2.82Å; A64-L68 VanDerWaalsContact O-N 3.13Å; V65-L68 WeakPolarHBondContact O-CB 3.47Å; V65-L68 PolarHBondContact O-N 3.06Å; L68-F71 PolarHBondContact O-N 2.9Å; L68-M72 HydrophobicContact CD1-CG 4.35Å; L68-M72 HydrophobicContact CD1-SD 4.42Å; L68-M72 HydrophobicContact CG-CE 4.05Å; L68-M72 HydrophobicContact CG-SD 4.41Å; L68-M72 WeakPolarHBondContact O-CG 3.35Å; L68-M72 PolarHBondContact O-N 3.44Å; L68-L82 HydrophobicContact CD1-CD1 3.68Å; L68-V85 HydrophobicContact CD1-CG1 3.76Å; L68-C89 HydrophobicContact CB-CB 4.45Å
69D97.8Very high96.7Very high1 Ų130.4 Ų30.41%0.00515%0.147CC..Hα-helixtrans-62.6-44.9179.4-78.5-32.8000112.5Y30 R40 V65 Y66 F71 M72 D73 L198Y30-D69 HydrophobicContact CD2-CB 4.48Å; Y30-D69 HydrophobicContact CE2-CB 3.99Å; R40-D69 WeakPolarHBondContact CD-OD1 3.42Å; R40-D69 WeakPolarHBondContact CG-OD1 3.38Å; R40-D69 IonicContact CZ-OD1 3.46Å; R40-D69 IonicContact CZ-OD2 2.63Å; R40-D69 VanDerWaalsContact CZ-OD2 3.26Å; R40-D69 IonicContact NE-OD1 2.72Å; R40-D69 PolarHBondContact NE-OD1 3.24Å; R40-D69 IonicContact NE-OD2 2.83Å; R40-D69 PolarHBondContact NE-OD2 3.38Å; R40-D69 IonicContact NH2-OD1 3.59Å; R40-D69 IonicContact NH2-OD2 3.23Å; R40-D69 PolarHBondContact NH2-OD2 2.94Å; V65-D69 WeakPolarHBondContact O-CB 3.34Å; V65-D69 PolarHBondContact O-N 3.2Å; Y66-D69 PolarHBondContact O-N 3.23Å; D69-F71 VanDerWaalsContact C-N 3.26Å; D69-F71 PolarHBondContact O-N 3.24Å; D69-M72 PolarHBondContact O-N 2.89Å; D69-M72 VanDerWaalsContact OD1-CE 3.28Å; D69-M72 WeakPolarHBondContact OD1-CE 3.09Å; D69-D73 WeakPolarHBondContact O-CB 3.43Å; D69-D73 PolarHBondContact O-N 2.85Å; D69-L198 HydrophobicContact CB-CD1 3.77Å
70L97.3Very high96.3Very high2 Ų237 Ų371%0.0118%0.175CC..Hα-helixtrans-68.3-23.3175.6-70.3-178.8000113.6P28 Y30 Y66 R74 F138P28-L70 HydrophobicContact CB-CD1 3.82Å; P28-L70 HydrophobicContact CB-CD2 3.93Å; P28-L70 HydrophobicContact CG-CD1 3.76Å; Y30-L70 HydrophobicContact CD2-CD2 4.39Å; Y66-L70 HydrophobicContact CD1-CD1 4.1Å; Y66-L70 HydrophobicContact CD2-CG 4.37Å; Y66-L70 HydrophobicContact CE1-CD1 3.56Å; Y66-L70 HydrophobicContact CE1-CG 4.34Å; Y66-L70 HydrophobicContact CE2-CD1 4.09Å; Y66-L70 HydrophobicContact CE2-CD2 4.21Å; Y66-L70 HydrophobicContact CE2-CG 4Å; Y66-L70 WeakPolarHBondContact O-CB 3.38Å; Y66-L70 WeakPolarHBondContact O-CG 3.47Å; Y66-L70 PolarHBondContact O-N 3.25Å; L70-R74 WeakPolarHBondContact O-CD 3.38Å; L70-R74 VanDerWaalsContact O-CG 3.29Å; L70-R74 WeakPolarHBondContact O-CG 3.26Å; L70-F138 HydrophobicContact CB-CE1 3.67Å; L70-F138 HydrophobicContact CB-CZ 3.94Å; L70-F138 HydrophobicContact CD1-CE1 3.86Å; L70-F138 HydrophobicContact CG-CE1 4.47Å
71F97.3Very high96.1Very high9 Ų941.2 Ų41.24%0.03920%0.195CC..Hα-helixtrans-77.7-47.9173.8-168.3-94.6000111.1L67 L68 D69 D73 R74 Y75 V77 V85 L133 L134 T137L67-F71 WeakPolarHBondContact O-CB 3.38Å; L67-F71 PolarHBondContact O-N 2.68Å; L68-F71 PolarHBondContact O-N 2.9Å; D69-F71 VanDerWaalsContact C-N 3.26Å; D69-F71 PolarHBondContact O-N 3.24Å; F71-D73 VanDerWaalsContact C-N 3.29Å; F71-D73 PolarHBondContact O-N 3.13Å; F71-R74 PolarHBondContact O-N 2.87Å; F71-Y75 HydrophobicContact CD1-CD2 4.21Å; F71-Y75 AromaticContact CD2-CD2 3.71Å; F71-Y75 HydrophobicContact CD2-CD2 3.71Å; F71-Y75 AromaticContact CD2-CE2 3.88Å; F71-Y75 HydrophobicContact CD2-CE2 3.88Å; F71-Y75 HydrophobicContact CE1-CD2 4.08Å; F71-Y75 HydrophobicContact CE1-CG 4.46Å; F71-Y75 AromaticContact CE2-CD2 3.56Å; F71-Y75 HydrophobicContact CE2-CD2 3.56Å; F71-Y75 AromaticContact CE2-CE2 3.67Å; F71-Y75 HydrophobicContact CE2-CE2 3.67Å; F71-Y75 HydrophobicContact CE2-CG 4.46Å; F71-Y75 HydrophobicContact CG-CD2 4.05Å; F71-Y75 AromaticContact CZ-CD2 3.76Å; F71-Y75 HydrophobicContact CZ-CD2 3.76Å; F71-Y75 HydrophobicContact CZ-CE2 4.25Å; F71-Y75 HydrophobicContact CZ-CG 4.26Å; F71-Y75 WeakPolarHBondContact O-CD2 3.24Å; F71-Y75 PolarHBondContact O-N 2.97Å; F71-Y75 VanDerWaalsContact O-N 3.09Å; F71-V77 HydrophobicContact CD1-CG2 4Å; F71-V77 HydrophobicContact CE1-CG2 3.69Å; F71-V85 HydrophobicContact CB-CG1 4.46Å; F71-V85 HydrophobicContact CD1-CG1 3.54Å; F71-V85 HydrophobicContact CD1-CG2 4.17Å; F71-V85 HydrophobicContact CE1-CG1 3.94Å; F71-V85 HydrophobicContact CE1-CG2 3.72Å; F71-V85 HydrophobicContact CG-CG1 4.08Å; F71-V85 HydrophobicContact CZ-CG2 4.44Å; F71-L133 HydrophobicContact CE2-CD2 4.47Å; F71-L133 HydrophobicContact CE2-CG 4.36Å; F71-L133 HydrophobicContact CZ-CD2 4.16Å; F71-L134 HydrophobicContact CB-CD2 4.23Å; F71-L134 HydrophobicContact CD2-CD2 3.43Å; F71-L134 VanDerWaalsContact CD2-CD2 3.43Å; F71-L134 HydrophobicContact CE2-CD2 3.91Å; F71-L134 HydrophobicContact CG-CD2 3.9Å; F71-T137 HydrophobicContact CD2-CG2 4.15Å
72M96.9Very high96Very high2 Ų240.3 Ų40.31%0.0119%0.191CC..Hα-helixtrans-59.4-37.4176.3-70.2-173.4-58.200112.4S34 Q36 R40 L68 D69 R74 L82S34-M72 WeakPolarHBondContact CB-O 3.28Å; S34-M72 PolarHBondContact OG-O 3Å; Q36-M72 HydrophobicContact CB-SD 4.16Å; R40-M72 HydrophobicContact CB-CE 4.05Å; R40-M72 HydrophobicContact CG-CE 3.99Å; L68-M72 HydrophobicContact CD1-CG 4.35Å; L68-M72 HydrophobicContact CD1-SD 4.42Å; L68-M72 HydrophobicContact CG-CE 4.05Å; L68-M72 HydrophobicContact CG-SD 4.41Å; L68-M72 WeakPolarHBondContact O-CG 3.35Å; L68-M72 PolarHBondContact O-N 3.44Å; D69-M72 PolarHBondContact O-N 2.89Å; D69-M72 VanDerWaalsContact OD1-CE 3.28Å; D69-M72 WeakPolarHBondContact OD1-CE 3.09Å; M72-R74 PolarHBondContact O-N 3.24Å; M72-L82 HydrophobicContact CG-CD1 3.8Å; M72-L82 HydrophobicContact SD-CD1 3.95Å; M72-L82 HydrophobicContact SD-CD2 3.93Å; M72-L82 HydrophobicContact SD-CG 4.49Å
73D95.3Very high95.8Very high18 Ų1841 Ų4110%0.09620%0.195CC..THydrogen-bonded Turntrans-72.5-2.1178.2-159.964.7000114Y30 K31 G32 Q33 D69 F71Y30-D73 HydrophobicContact CD2-CB 3.8Å; Y30-D73 HydrophobicContact CE2-CB 3.83Å; K31-D73 WeakPolarHBondContact CB-OD2 3.27Å; K31-D73 PolarHBondContact N-OD2 3.3Å; G32-D73 PolarHBondContact N-OD1 2.93Å; Q33-D73 PolarHBondContact N-OD1 3.27Å; D69-D73 WeakPolarHBondContact O-CB 3.43Å; D69-D73 PolarHBondContact O-N 2.85Å; F71-D73 VanDerWaalsContact C-N 3.29Å; F71-D73 PolarHBondContact O-N 3.13Å
74R94.6Very high95.7Very high124 Ų12443.2 Ų43.247%0.46821%0.206SC..THydrogen-bonded Turntrans-118.2-24.9178.7-69.7178.5-178.7-161.14.4114.7L70 F71 M72 T137L70-R74 WeakPolarHBondContact O-CD 3.38Å; L70-R74 VanDerWaalsContact O-CG 3.29Å; L70-R74 WeakPolarHBondContact O-CG 3.26Å; F71-R74 PolarHBondContact O-N 2.87Å; M72-R74 PolarHBondContact O-N 3.24Å; R74-T137 PolarHBondContact NH1-O 3.08Å
75Y94.6Very high95.6Very high94 Ų9443.3 Ų43.337%0.36921%0.206SC..  trans-133.4144.4-170.2-62.3-75.3000112.5Q36 F71 V77 T137Q36-Y75 PolarHBondContact NE2-O 3.43Å; Q36-Y75 VanDerWaalsContact NE2-O 3.08Å; Q36-Y75 PolarHBondContact OE1-O 3.22Å; F71-Y75 HydrophobicContact CD1-CD2 4.21Å; F71-Y75 AromaticContact CD2-CD2 3.71Å; F71-Y75 HydrophobicContact CD2-CD2 3.71Å; F71-Y75 AromaticContact CD2-CE2 3.88Å; F71-Y75 HydrophobicContact CD2-CE2 3.88Å; F71-Y75 HydrophobicContact CE1-CD2 4.08Å; F71-Y75 HydrophobicContact CE1-CG 4.46Å; F71-Y75 AromaticContact CE2-CD2 3.56Å; F71-Y75 HydrophobicContact CE2-CD2 3.56Å; F71-Y75 AromaticContact CE2-CE2 3.67Å; F71-Y75 HydrophobicContact CE2-CE2 3.67Å; F71-Y75 HydrophobicContact CE2-CG 4.46Å; F71-Y75 HydrophobicContact CG-CD2 4.05Å; F71-Y75 AromaticContact CZ-CD2 3.76Å; F71-Y75 HydrophobicContact CZ-CD2 3.76Å; F71-Y75 HydrophobicContact CZ-CE2 4.25Å; F71-Y75 HydrophobicContact CZ-CG 4.26Å; F71-Y75 WeakPolarHBondContact O-CD2 3.24Å; F71-Y75 PolarHBondContact O-N 2.97Å; F71-Y75 VanDerWaalsContact O-N 3.09Å; Y75-V77 PolarHBondContact O-N 2.98Å; Y75-T137 HydrophobicContact CE2-CG2 3.82Å
76D94.8Very high95.6Very high130 Ų13043.2 Ų43.270%0.69521%0.206SC*.  trans-85.1104.9168.5-78.5-27.3000110.3P35 Q36P35-D76 VanDerWaalsContact CD-OD1 3.27Å; P35-D76 WeakPolarHBondContact CD-OD1 3.44Å; P35-D76 WeakPolarHBondContact CG-OD1 3.37Å; Q36-D76 PolarHBondContact NE2-OD1 3.47Å
77V94.4Very high95.6Very high18 Ų1842 Ų4211%0.10920%0.201CC..  trans-111.5133.3-171.7-168.90000110.5Q36 F71 Y75 Q81 L82 V85Q36-V77 WeakPolarHBondContact CG-O 3.45Å; F71-V77 HydrophobicContact CD1-CG2 4Å; F71-V77 HydrophobicContact CE1-CG2 3.69Å; Y75-V77 PolarHBondContact O-N 2.98Å; V77-Q81 HydrophobicContact CG1-CB 3.67Å; V77-L82 HydrophobicContact CB-CD1 4.38Å; V77-L82 HydrophobicContact CG1-CB 3.98Å; V77-L82 HydrophobicContact CG1-CD1 4.12Å; V77-V85 HydrophobicContact CG1-CG2 4.14Å
78T93.1Very high95.5Very high77 Ų7742 Ų4247%0.47220%0.201SC..  trans-74.2152.6173.467.10000111.8Q80 Q81 L82T78-Q80 PolarHBondContact O-N 3.18Å; T78-Q80 VanDerWaalsContact O-N 3.13Å; T78-Q81 VanDerWaalsContact N-OE1 3.09Å; T78-Q81 PolarHBondContact O-N 3.4Å; T78-Q81 VanDerWaalsContact OG1-CD 3.27Å; T78-Q81 WeakPolarHBondContact OG1-CG 3.46Å; T78-Q81 PolarHBondContact OG1-N 2.81Å; T78-Q81 PolarHBondContact OG1-OE1 2.65Å; T78-L82 WeakPolarHBondContact O-CB 3.28Å; T78-L82 PolarHBondContact O-N 2.95Å
79M91.6Very high95.5Very high91 Ų9142 Ų4245%0.44820%0.201SC..Hα-helixtrans-47.5-43.2175.5-98.8-72.7-103.900113.5L39 F43 L82 H83L39-M79 HydrophobicContact CB-SD 4.46Å; L39-M79 HydrophobicContact CD1-CG 3.67Å; L39-M79 HydrophobicContact CD1-SD 3.58Å; L39-M79 VanDerWaalsContact CD1-SD 3.58Å; L39-M79 HydrophobicContact CD2-CE 3.9Å; L39-M79 HydrophobicContact CD2-CG 4.33Å; L39-M79 HydrophobicContact CD2-SD 3.73Å; L39-M79 HydrophobicContact CG-SD 4.11Å; F43-M79 HydrophobicContact CE2-SD 4.02Å; F43-M79 HydrophobicContact CZ-SD 4.09Å; M79-L82 PolarHBondContact O-N 2.89Å; M79-H83 PolarHBondContact O-CE1 3.32Å; M79-H83 PolarHBondContact O-ND1 3.2Å
80Q88.9Confident95.6Very high156 Ų15642 Ų4273%0.72920%0.201SC*.Hα-helixtrans-68-41.3-179.4-172178.23.400112.4T78T78-Q80 PolarHBondContact O-N 3.18Å; T78-Q80 VanDerWaalsContact O-N 3.13Å
81Q93.4Very high95.6Very high88 Ų8842.3 Ų42.341%0.41120%0.203SC..Hα-helixtrans-67.3-37.1175.4-71162.2-45.900111.6V77 T78 H83 I84 V85V77-Q81 HydrophobicContact CG1-CB 3.67Å; T78-Q81 VanDerWaalsContact N-OE1 3.09Å; T78-Q81 PolarHBondContact O-N 3.4Å; T78-Q81 VanDerWaalsContact OG1-CD 3.27Å; T78-Q81 WeakPolarHBondContact OG1-CG 3.46Å; T78-Q81 PolarHBondContact OG1-N 2.81Å; T78-Q81 PolarHBondContact OG1-OE1 2.65Å; Q81-H83 PolarHBondContact O-N 3.48Å; Q81-I84 WeakPolarHBondContact O-CA 3.48Å; Q81-I84 WeakPolarHBondContact O-CB 3.49Å; Q81-I84 PolarHBondContact O-N 3.41Å; Q81-V85 WeakPolarHBondContact O-CG2 3.16Å; Q81-V85 PolarHBondContact O-N 3.12Å
82L95.8Very high95.6Very high0 Ų042.3 Ų42.30%020%0.203CC..Hα-helixtrans-64.2-25.4-174.6-164.854.2000113.3Q36 L39 F43 L68 M72 V77 T78 M79 V85 S86Q36-L82 HydrophobicContact CB-CD2 4.08Å; Q36-L82 HydrophobicContact CG-CD2 4.37Å; L39-L82 HydrophobicContact CB-CD2 4.5Å; L39-L82 HydrophobicContact CD1-CD2 4.35Å; F43-L82 HydrophobicContact CD2-CD2 3.79Å; F43-L82 HydrophobicContact CD2-CG 3.87Å; F43-L82 HydrophobicContact CE1-CG 4.49Å; F43-L82 HydrophobicContact CE2-CB 4.03Å; F43-L82 HydrophobicContact CE2-CD2 3.45Å; F43-L82 VanDerWaalsContact CE2-CD2 3.45Å; F43-L82 HydrophobicContact CE2-CG 3.57Å; F43-L82 HydrophobicContact CG-CG 4.47Å; F43-L82 HydrophobicContact CZ-CB 3.92Å; F43-L82 HydrophobicContact CZ-CD2 4.22Å; F43-L82 HydrophobicContact CZ-CG 3.91Å; L68-L82 HydrophobicContact CD1-CD1 3.68Å; M72-L82 HydrophobicContact CG-CD1 3.8Å; M72-L82 HydrophobicContact SD-CD1 3.95Å; M72-L82 HydrophobicContact SD-CD2 3.93Å; M72-L82 HydrophobicContact SD-CG 4.49Å; V77-L82 HydrophobicContact CB-CD1 4.38Å; V77-L82 HydrophobicContact CG1-CB 3.98Å; V77-L82 HydrophobicContact CG1-CD1 4.12Å; T78-L82 WeakPolarHBondContact O-CB 3.28Å; T78-L82 PolarHBondContact O-N 2.95Å; M79-L82 PolarHBondContact O-N 2.89Å; L82-V85 HydrophobicContact CD1-CB 4.25Å; L82-V85 HydrophobicContact CD1-CG1 4.34Å; L82-S86 WeakPolarHBondContact O-CB 3.46Å; L82-S86 PolarHBondContact O-N 3.4Å; L82-S86 PolarHBondContact O-OG 2.73Å
83H95.4Very high95.7Very high22 Ų2242.2 Ų42.210%0.10220%0.203CC..Hα-helixtrans-64.3-44166.9-69.180.1000112.7Y42 F43 M79 Q81 S86 L87 M118 L120Y42-H83 AromaticContact CE1-NE2 3.71Å; F43-H83 HydrophobicContact CE1-CB 4.28Å; F43-H83 AromaticContact CE1-CD2 3.76Å; F43-H83 AromaticContact CE1-CE1 3.9Å; F43-H83 AromaticContact CE1-CG 3.69Å; F43-H83 AromaticContact CE1-ND1 3.79Å; F43-H83 AromaticContact CE1-NE2 3.9Å; F43-H83 AromaticContact CZ-CE1 3.68Å; F43-H83 AromaticContact CZ-ND1 3.67Å; M79-H83 PolarHBondContact O-CE1 3.32Å; M79-H83 PolarHBondContact O-ND1 3.2Å; Q81-H83 PolarHBondContact O-N 3.48Å; H83-S86 PolarHBondContact O-OG 2.95Å; H83-S86 VanDerWaalsContact O-OG 3.07Å; H83-L87 WeakPolarHBondContact O-CB 3.3Å; H83-L87 VanDerWaalsContact O-CD1 3.3Å; H83-L87 WeakPolarHBondContact O-CD1 3.33Å; H83-L87 WeakPolarHBondContact O-CG 3.3Å; H83-L87 PolarHBondContact O-N 2.73Å; H83-L87 VanDerWaalsContact O-N 3.16Å; H83-M118 PolarHBondContact CD2-SD 3.41Å; H83-L120 HydrophobicContact CB-CD1 4.46Å; H83-L120 HydrophobicContact CB-CD2 3.75Å
84I95.4Very high95.8Very high46 Ų4641.4 Ų41.424%0.23620%0.198CC..Hα-helixtrans-70.6-39.7177.9-54.5177.7000109.9Q81 S88 L120 L122 M130Q81-I84 WeakPolarHBondContact O-CA 3.48Å; Q81-I84 WeakPolarHBondContact O-CB 3.49Å; Q81-I84 PolarHBondContact O-N 3.41Å; I84-S88 VanDerWaalsContact O-CB 3.28Å; I84-S88 WeakPolarHBondContact O-CB 3.38Å; I84-S88 PolarHBondContact O-N 3.02Å; I84-S88 PolarHBondContact O-OG 2.94Å; I84-L120 HydrophobicContact CG1-CD1 4.4Å; I84-L122 HydrophobicContact CG1-CD2 4.37Å; I84-M130 HydrophobicContact CG2-CB 4.07Å; I84-M130 HydrophobicContact CG2-CG 4.2Å
85V97.8Very high96Very high1 Ų140.5 Ų40.51%0.00620%0.198CC..Hα-helixtrans-57.4-55.9174.21750000110.8L68 F71 V77 Q81 L82 L87 S88 C89 M130L68-V85 HydrophobicContact CD1-CG1 3.76Å; F71-V85 HydrophobicContact CB-CG1 4.46Å; F71-V85 HydrophobicContact CD1-CG1 3.54Å; F71-V85 HydrophobicContact CD1-CG2 4.17Å; F71-V85 HydrophobicContact CE1-CG1 3.94Å; F71-V85 HydrophobicContact CE1-CG2 3.72Å; F71-V85 HydrophobicContact CG-CG1 4.08Å; F71-V85 HydrophobicContact CZ-CG2 4.44Å; V77-V85 HydrophobicContact CG1-CG2 4.14Å; Q81-V85 WeakPolarHBondContact O-CG2 3.16Å; Q81-V85 PolarHBondContact O-N 3.12Å; L82-V85 HydrophobicContact CD1-CB 4.25Å; L82-V85 HydrophobicContact CD1-CG1 4.34Å; V85-L87 PolarHBondContact O-N 3.2Å; V85-S88 CarbonylContact O-C 3.55Å; V85-S88 PolarHBondContact O-N 2.98Å; V85-S88 VanDerWaalsContact O-N 3.12Å; V85-C89 PolarHBondContact O-N 3.16Å; V85-C89 PolarHBondContact O-SG 3.28Å; V85-M130 HydrophobicContact CB-SD 4.44Å; V85-M130 HydrophobicContact CG2-CE 3.83Å; V85-M130 HydrophobicContact CG2-CG 4.49Å; V85-M130 HydrophobicContact CG2-SD 3.65Å
86S97.9Very high96.1Very high0 Ų040.1 Ų40.10%020%0.198CC..Hα-helixtrans-60.9-41.6-177.549.50000112.9F43 L82 H83 S88 C89 L90F43-S86 VanDerWaalsContact CD1-OG 3.3Å; F43-S86 WeakPolarHBondContact CD1-OG 3.46Å; L82-S86 WeakPolarHBondContact O-CB 3.46Å; L82-S86 PolarHBondContact O-N 3.4Å; L82-S86 PolarHBondContact O-OG 2.73Å; H83-S86 PolarHBondContact O-OG 2.95Å; H83-S86 VanDerWaalsContact O-OG 3.07Å; S86-S88 VanDerWaalsContact C-N 3.33Å; S86-S88 PolarHBondContact O-N 3.13Å; S86-C89 PolarHBondContact O-N 2.88Å; S86-L90 WeakPolarHBondContact O-CB 3.28Å; S86-L90 PolarHBondContact O-N 3.15Å
87L97.3Very high96.2Very high2 Ų236.3 Ų36.31%0.0118%0.176CC..Hα-helixtrans-68.8-30.5176-66.4166.8000112.6I50 H83 V85 L91 M115 L120 L122I50-L87 HydrophobicContact CD1-CD2 3.35Å; H83-L87 WeakPolarHBondContact O-CB 3.3Å; H83-L87 VanDerWaalsContact O-CD1 3.3Å; H83-L87 WeakPolarHBondContact O-CD1 3.33Å; H83-L87 WeakPolarHBondContact O-CG 3.3Å; H83-L87 PolarHBondContact O-N 2.73Å; H83-L87 VanDerWaalsContact O-N 3.16Å; V85-L87 PolarHBondContact O-N 3.2Å; L87-L91 WeakPolarHBondContact O-CG 3.45Å; L87-L91 PolarHBondContact O-N 3.47Å; L87-L91 VanDerWaalsContact O-N 3.08Å; L87-M115 HydrophobicContact CD1-CE 3.95Å; L87-M115 HydrophobicContact CD1-SD 3.66Å; L87-M115 HydrophobicContact CD2-CE 3.92Å; L87-L120 HydrophobicContact CD1-CD2 3.57Å; L87-L122 HydrophobicContact CB-CD1 4.42Å; L87-L122 HydrophobicContact CD1-CD1 4.12Å; L87-L122 HydrophobicContact CD1-CD2 4.02Å; L87-L122 HydrophobicContact CD1-CG 4.38Å
88S98Very high96.2Very high0 Ų036.3 Ų36.30%018%0.175CC..Hα-helixtrans-76-38.7173.8-53.90000112.1I84 V85 S86 L90 L91 L92 L127 M130I84-S88 VanDerWaalsContact O-CB 3.28Å; I84-S88 WeakPolarHBondContact O-CB 3.38Å; I84-S88 PolarHBondContact O-N 3.02Å; I84-S88 PolarHBondContact O-OG 2.94Å; V85-S88 CarbonylContact O-C 3.55Å; V85-S88 PolarHBondContact O-N 2.98Å; V85-S88 VanDerWaalsContact O-N 3.12Å; S86-S88 VanDerWaalsContact C-N 3.33Å; S86-S88 PolarHBondContact O-N 3.13Å; S88-L90 VanDerWaalsContact C-N 3.28Å; S88-L90 PolarHBondContact O-N 3.07Å; S88-L91 PolarHBondContact O-N 2.77Å; S88-L92 WeakPolarHBondContact O-CG 3.43Å; S88-L92 PolarHBondContact O-N 3.17Å; S88-L127 WeakPolarHBondContact OG-CD1 3.3Å; S88-M130 WeakPolarHBondContact OG-CB 3.46Å; S88-M130 VanDerWaalsContact OG-CG 3.29Å; S88-M130 WeakPolarHBondContact OG-CG 3.45Å
89C98.6Very high96.2Very high0 Ų039.2 Ų39.20%018%0.177CC..Hα-helixtrans-59-42.4171.1-66.10000110.8A64 L67 L68 V85 S86 A93A64-C89 WeakPolarHBondContact O-CB 3.44Å; L67-C89 HydrophobicContact CB-CB 4.05Å; L68-C89 HydrophobicContact CB-CB 4.45Å; V85-C89 PolarHBondContact O-N 3.16Å; V85-C89 PolarHBondContact O-SG 3.28Å; S86-C89 PolarHBondContact O-N 2.88Å; C89-A93 VanDerWaalsContact O-CB 3.27Å; C89-A93 WeakPolarHBondContact O-CB 3.2Å; C89-A93 PolarHBondContact O-N 3.49Å
90L98.4Very high96.2Very high3 Ų341.8 Ų41.82%0.01619%0.188CC..Hα-helixtrans-64.3-41.2175.3179.554.7000112.8I47 I50 C51 L56 A64 S86 S88 S94I47-L90 HydrophobicContact CG2-CD1 4.3Å; I50-L90 HydrophobicContact CB-CD2 3.85Å; I50-L90 HydrophobicContact CG2-CD2 3.54Å; C51-L90 WeakPolarHBondContact SG-CD1 3.26Å; L56-L90 HydrophobicContact CD1-CD1 3.92Å; A64-L90 HydrophobicContact CB-CB 4.11Å; A64-L90 HydrophobicContact CB-CD1 3.87Å; S86-L90 WeakPolarHBondContact O-CB 3.28Å; S86-L90 PolarHBondContact O-N 3.15Å; S88-L90 VanDerWaalsContact C-N 3.28Å; S88-L90 PolarHBondContact O-N 3.07Å; L90-S94 VanDerWaalsContact O-CB 3.32Å; L90-S94 WeakPolarHBondContact O-CB 3.42Å; L90-S94 PolarHBondContact O-N 3.18Å; L90-S94 PolarHBondContact O-OG 3.05Å
91L97.8Very high96.4Very high7 Ų739.9 Ų39.94%0.03718%0.183CC..Hα-helixtrans-70.1-39.5177.2-78.9174.7000113.4L87 S88 S94 K95 V103 P104 L109 L127L87-L91 WeakPolarHBondContact O-CG 3.45Å; L87-L91 PolarHBondContact O-N 3.47Å; L87-L91 VanDerWaalsContact O-N 3.08Å; S88-L91 PolarHBondContact O-N 2.77Å; L91-S94 PolarHBondContact O-N 2.9Å; L91-K95 WeakPolarHBondContact O-CB 3.47Å; L91-K95 VanDerWaalsContact O-CG 3.23Å; L91-K95 WeakPolarHBondContact O-CG 3.49Å; L91-K95 PolarHBondContact O-N 3.23Å; L91-V103 HydrophobicContact CD2-CG1 4.45Å; L91-P104 HydrophobicContact CD2-CB 4.11Å; L91-P104 HydrophobicContact CD2-CG 4.5Å; L91-P104 WeakPolarHBondContact CD2-O 3.23Å; L91-L109 HydrophobicContact CD1-CD1 3.78Å; L91-L109 HydrophobicContact CD2-CD1 3.94Å; L91-L109 HydrophobicContact CG-CD1 4.06Å; L91-L127 HydrophobicContact CD1-CD1 3.97Å; L91-L127 HydrophobicContact CD1-CD2 3.51Å; L91-L127 HydrophobicContact CD1-CG 4.11Å
92L98.3Very high96.3Very high10 Ų1040.6 Ų40.65%0.05218%0.182CC..Hα-helixtrans-63.5-44.8173.3-73-179.6000111.7S88 S94 K95 F96 E131 L134 L135 L142S88-L92 WeakPolarHBondContact O-CG 3.43Å; S88-L92 PolarHBondContact O-N 3.17Å; L92-S94 VanDerWaalsContact C-N 3.35Å; L92-K95 PolarHBondContact O-N 3.24Å; L92-F96 WeakPolarHBondContact O-CB 3.48Å; L92-F96 PolarHBondContact O-N 3.34Å; L92-F96 VanDerWaalsContact O-N 3.12Å; L92-E131 HydrophobicContact CD2-CB 4.07Å; L92-E131 HydrophobicContact CD2-CG 4.2Å; L92-E131 HydrophobicContact CG-CB 4.35Å; L92-E131 HydrophobicContact CG-CG 4.19Å; L92-L134 HydrophobicContact CD1-CB 3.5Å; L92-L134 VanDerWaalsContact CD1-CB 3.5Å; L92-L134 HydrophobicContact CD1-CD1 4.01Å; L92-L134 HydrophobicContact CD1-CG 4.4Å; L92-L135 HydrophobicContact CD1-CG 4.11Å; L92-L135 HydrophobicContact CD2-CD1 3.89Å; L92-L135 HydrophobicContact CD2-CD2 4.2Å; L92-L135 HydrophobicContact CD2-CG 3.94Å; L92-L142 HydrophobicContact CB-CD1 4.11Å
93A98.5Very high96.3Very high0 Ų041.2 Ų41.20%019%0.186CC..Hα-helixtrans-63.4-40.7175.100000112A60 L63 A64 L67 C89 F96 E97A60-A93 WeakPolarHBondContact O-CB 3.26Å; L63-A93 HydrophobicContact CB-CB 3.92Å; L63-A93 HydrophobicContact CD2-CB 4.02Å; L63-A93 HydrophobicContact CG-CB 3.85Å; A64-A93 HydrophobicContact CB-CB 3.88Å; L67-A93 HydrophobicContact CD1-CB 4.38Å; C89-A93 VanDerWaalsContact O-CB 3.27Å; C89-A93 WeakPolarHBondContact O-CB 3.2Å; C89-A93 PolarHBondContact O-N 3.49Å; A93-F96 PolarHBondContact O-N 2.75Å; A93-E97 WeakPolarHBondContact O-CB 3.3Å; A93-E97 WeakPolarHBondContact O-CG 3.44Å; A93-E97 PolarHBondContact O-N 2.86Å
94S98.1Very high96.3Very high0 Ų040.5 Ų40.50%018%0.183CC..Hα-helixtrans-60.2-51.6173.7-56.70000110.7L90 L91 L92 F96 E97 E98L90-S94 VanDerWaalsContact O-CB 3.32Å; L90-S94 WeakPolarHBondContact O-CB 3.42Å; L90-S94 PolarHBondContact O-N 3.18Å; L90-S94 PolarHBondContact O-OG 3.05Å; L91-S94 PolarHBondContact O-N 2.9Å; L92-S94 VanDerWaalsContact C-N 3.35Å; S94-F96 PolarHBondContact O-N 2.94Å; S94-E97 PolarHBondContact O-N 3.39Å; S94-E98 WeakPolarHBondContact O-CA 3.34Å; S94-E98 WeakPolarHBondContact O-CB 3.35Å; S94-E98 WeakPolarHBondContact O-CG 3.21Å; S94-E98 PolarHBondContact O-N 3.17Å
95K97.3Very high96.2Very high105 Ų10545 Ų4546%0.45720%0.201SC..Hα-helixtrans-62.5-15.4178.9-70.7166.4-178.9174.10114.4L91 L92 V103 E131L91-K95 WeakPolarHBondContact O-CB 3.47Å; L91-K95 VanDerWaalsContact O-CG 3.23Å; L91-K95 WeakPolarHBondContact O-CG 3.49Å; L91-K95 PolarHBondContact O-N 3.23Å; L92-K95 PolarHBondContact O-N 3.24Å; K95-V103 HydrophobicContact CG-CG1 3.86Å; K95-V103 HydrophobicContact CG-CG2 4.47Å; K95-E131 IonicContact NZ-OE1 2.67Å; K95-E131 PolarHBondContact NZ-OE1 2.93Å; K95-E131 IonicContact NZ-OE2 2.8Å; K95-E131 PolarHBondContact NZ-OE2 2.89Å
96F97.6Very high96Very high87 Ų8747.1 Ų47.138%0.38221%0.212SC..Hα-helixtrans-97.6-40.8-179.9-174-99.8000112.8L63 L92 A93 S94 L142 Y143L63-F96 HydrophobicContact CD2-CB 4.36Å; L63-F96 HydrophobicContact CD2-CD1 3.63Å; L63-F96 HydrophobicContact CD2-CE1 4.39Å; L63-F96 HydrophobicContact CD2-CG 4.31Å; L92-F96 WeakPolarHBondContact O-CB 3.48Å; L92-F96 PolarHBondContact O-N 3.34Å; L92-F96 VanDerWaalsContact O-N 3.12Å; A93-F96 PolarHBondContact O-N 2.75Å; S94-F96 PolarHBondContact O-N 2.94Å; F96-L142 HydrophobicContact CB-CD1 4.37Å; F96-L142 HydrophobicContact CD1-CB 4.49Å; F96-L142 HydrophobicContact CD2-CB 3.84Å; F96-L142 HydrophobicContact CE2-CB 4.14Å; F96-L142 HydrophobicContact CG-CB 4.04Å; F96-Y143 HydrophobicContact CZ-CD2 4.4Å
97E96.6Very high95.8Very high49 Ų4955.1 Ų55.123%0.22925%0.25CC..Hα-helixtrans-100.2-21.1-174.9-57.9-71.9174.300113.4A59 A60 L63 A93 S94 H149A59-E97 HydrophobicContact CB-CB 4.33Å; A59-E97 HydrophobicContact CB-CG 4.07Å; A59-E97 WeakPolarHBondContact CB-OE2 3.44Å; A60-E97 HydrophobicContact CB-CB 3.99Å; A60-E97 HydrophobicContact CB-CG 4.4Å; L63-E97 HydrophobicContact CD2-CG 3.95Å; L63-E97 WeakPolarHBondContact CD2-OE1 3.46Å; A93-E97 WeakPolarHBondContact O-CB 3.3Å; A93-E97 WeakPolarHBondContact O-CG 3.44Å; A93-E97 PolarHBondContact O-N 2.86Å; S94-E97 PolarHBondContact O-N 3.39Å; E97-H149 IonicContact OE1-CE1 3.26Å; E97-H149 PolarHBondContact OE1-CE1 2.97Å; E97-H149 IonicContact OE1-NE2 2.73Å; E97-H149 PolarHBondContact OE1-NE2 3.25Å
98E95.2Very high95.6Very high19 Ų1957.9 Ų57.99%0.08927%0.266CS..SBendtrans-100.2157.3-174.6-61.8-69.2171.700113.8L56 C57 A60 S94 R102 V103L56-E98 WeakPolarHBondContact CA-OE1 3.46Å; L56-E98 HydrophobicContact CD2-CG 4.18Å; C57-E98 PolarHBondContact N-OE1 2.95Å; C57-E98 PolarHBondContact SG-OE1 3.4Å; A60-E98 HydrophobicContact CB-CG 4.29Å; S94-E98 WeakPolarHBondContact O-CA 3.34Å; S94-E98 WeakPolarHBondContact O-CB 3.35Å; S94-E98 WeakPolarHBondContact O-CG 3.21Å; S94-E98 PolarHBondContact O-N 3.17Å; E98-R102 HydrophobicContact CB-CB 4.43Å; E98-R102 IonicContact OE2-CZ 3.58Å; E98-R102 IonicContact OE2-NE 3.28Å; E98-R102 PolarHBondContact OE2-NE 3.25Å; E98-R102 IonicContact OE2-NH2 2.73Å; E98-R102 PolarHBondContact OE2-NH2 2.82Å; E98-V103 HydrophobicContact CB-CG2 4.13Å
99R92.5Very high95.4Very high137 Ų13758 Ų5852%0.51727%0.267SS..  trans-68.5140.1160.7-52.3172.658.592.97.4109D101 R102 V103R99-D101 WeakPolarHBondContact CB-OD1 3.5Å; R99-D101 IonicContact NE-OD1 3.39Å; R99-D101 PolarHBondContact NE-OD1 2.84Å; R99-D101 IonicContact NH2-OD1 2.73Å; R99-D101 PolarHBondContact O-N 2.87Å; R99-R102 PolarHBondContact O-N 3.06Å; R99-V103 PolarHBondContact O-N 2.87Å
100E92.1Very high95.1Very high146 Ų14660.3 Ų60.368%0.68228%0.279SS*.THydrogen-bonded Turntrans-50.9-30.3-179.9-179.763.7-164.600113.5R102 V103E100-R102 VanDerWaalsContact C-N 3.3Å; E100-R102 PolarHBondContact O-N 3.1Å; E100-V103 PolarHBondContact O-N 3.43Å
101D91.7Very high94.9Very high116 Ų11664.1 Ų64.162%0.6231%0.307SS*.THydrogen-bonded Turntrans-69.3-20.8176.661.1-81.9000114.7R99R99-D101 WeakPolarHBondContact CB-OD1 3.5Å; R99-D101 IonicContact NE-OD1 3.39Å; R99-D101 PolarHBondContact NE-OD1 2.84Å; R99-D101 IonicContact NH2-OD1 2.73Å; R99-D101 PolarHBondContact O-N 2.87Å
102R91.9Very high94.6Very high102 Ų10264.6 Ų64.639%0.38531%0.309SS..THydrogen-bonded Turntrans-98.9-12176.8-54.9-159.2-61.2-138.82.7114L56 E98 R99 E100 P104L56-R102 WeakPolarHBondContact CD2-O 3.08Å; E98-R102 HydrophobicContact CB-CB 4.43Å; E98-R102 IonicContact OE2-CZ 3.58Å; E98-R102 IonicContact OE2-NE 3.28Å; E98-R102 PolarHBondContact OE2-NE 3.25Å; E98-R102 IonicContact OE2-NH2 2.73Å; E98-R102 PolarHBondContact OE2-NH2 2.82Å; R99-R102 PolarHBondContact O-N 3.06Å; E100-R102 VanDerWaalsContact C-N 3.3Å; E100-R102 PolarHBondContact O-N 3.1Å; R102-P104 WeakPolarHBondContact O-CD 3.39Å
103V96.1Very high94.2Very high14 Ų1466.9 Ų66.99%0.08533%0.334CS..SBendtrans-64.1124.9-179.2178.20000110.7L91 K95 E98 R99 E100 K105L91-V103 HydrophobicContact CD2-CG1 4.45Å; K95-V103 HydrophobicContact CG-CG1 3.86Å; K95-V103 HydrophobicContact CG-CG2 4.47Å; E98-V103 HydrophobicContact CB-CG2 4.13Å; R99-V103 PolarHBondContact O-N 2.87Å; E100-V103 PolarHBondContact O-N 3.43Å; V103-K105 PolarHBondContact O-N 3.04Å
104P94.9Very high93.6Very high7 Ų768.3 Ų68.35%0.04534%0.344CS..PPolyproline II helixtrans-62131.8-178.6-24.934.8000112.9F54 L56 L91 R102 L109F54-P104 HydrophobicContact CB-CG 4.29Å; F54-P104 HydrophobicContact CD1-CB 4.29Å; F54-P104 HydrophobicContact CD1-CG 4.31Å; F54-P104 HydrophobicContact CD2-CB 4.01Å; F54-P104 HydrophobicContact CD2-CG 3.82Å; F54-P104 HydrophobicContact CE1-CB 4.15Å; F54-P104 HydrophobicContact CE2-CB 3.86Å; F54-P104 HydrophobicContact CE2-CG 4.19Å; F54-P104 HydrophobicContact CG-CB 4.24Å; F54-P104 HydrophobicContact CG-CG 3.89Å; F54-P104 HydrophobicContact CZ-CB 3.94Å; L56-P104 HydrophobicContact CD1-CG 4.05Å; L56-P104 HydrophobicContact CD2-CG 4.32Å; L91-P104 HydrophobicContact CD2-CB 4.11Å; L91-P104 HydrophobicContact CD2-CG 4.5Å; L91-P104 WeakPolarHBondContact CD2-O 3.23Å; R102-P104 WeakPolarHBondContact O-CD 3.39Å; P104-L109 HydrophobicContact CB-CD1 4.17Å; P104-L109 HydrophobicContact CB-CD2 4Å; P104-L109 HydrophobicContact CB-CG 3.97Å
105K93.9Very high93.3Very high139 Ų13968.4 Ų68.460%0.60435%0.345SS*.PPolyproline II helixtrans-90.7145.5179.2-65.9176.9-177.2174.20111V103 E107 T108 L109V103-K105 PolarHBondContact O-N 3.04Å; K105-E107 VanDerWaalsContact C-N 3.3Å; K105-E107 PolarHBondContact O-N 3.44Å; K105-T108 CarbonylContact O-C 3.58Å; K105-T108 WeakPolarHBondContact O-CA 3.42Å; K105-T108 WeakPolarHBondContact O-CB 3.42Å; K105-T108 PolarHBondContact O-N 3.05Å; K105-L109 PolarHBondContact O-N 3.39Å
106L94.2Very high92.8Very high47 Ų4767.1 Ų67.125%0.24635%0.349CS..Hα-helixtrans-50.6-45.4-176.9173.961.2000113.4L109 N110 L122 K124 L127L106-L109 PolarHBondContact O-N 3.42Å; L106-N110 WeakPolarHBondContact O-CB 3.48Å; L106-N110 PolarHBondContact O-N 3.04Å; L106-L122 HydrophobicContact CD1-CB 3.49Å; L106-L122 VanDerWaalsContact CD1-CB 3.49Å; L106-L122 HydrophobicContact CD1-CD1 4.28Å; L106-K124 HydrophobicContact CD2-CB 3.76Å; L106-K124 HydrophobicContact CD2-CG 4.47Å; L106-L127 HydrophobicContact CD1-CD2 4.06Å
107E92.9Very high92.4Very high168 Ų16867.5 Ų67.579%0.78536%0.362SS*.Hα-helixtrans-62.7-42.4178.2-66.7168.2-167.700111.5K105 N110 S111K105-E107 VanDerWaalsContact C-N 3.3Å; K105-E107 PolarHBondContact O-N 3.44Å; E107-N110 PolarHBondContact O-N 3.32Å; E107-S111 PolarHBondContact O-N 2.87Å
108T92.9Very high92Very high59 Ų5966.9 Ų66.936%0.36236%0.36SS..Hα-helixtrans-70.6-37.1178.7-37.20000111.8F54 K105 S111F54-T108 HydrophobicContact CE1-CG2 3.69Å; F54-T108 HydrophobicContact CZ-CG2 3.84Å; K105-T108 CarbonylContact O-C 3.58Å; K105-T108 WeakPolarHBondContact O-CA 3.42Å; K105-T108 WeakPolarHBondContact O-CB 3.42Å; K105-T108 PolarHBondContact O-N 3.05Å; T108-S111 PolarHBondContact O-N 3.26Å; T108-S111 PolarHBondContact O-OG 3.24Å
109L93.3Very high91.6Very high3 Ų373.1 Ų73.12%0.01639%0.394CS..Hα-helixtrans-61.2-50.4171.9-75.6169.7000111.5I50 F54 L91 P104 K105 L106 S111 L112 M115 L122I50-L109 HydrophobicContact CG2-CD2 3.97Å; F54-L109 HydrophobicContact CE2-CD2 3.8Å; F54-L109 HydrophobicContact CZ-CD2 4.32Å; L91-L109 HydrophobicContact CD1-CD1 3.78Å; L91-L109 HydrophobicContact CD2-CD1 3.94Å; L91-L109 HydrophobicContact CG-CD1 4.06Å; P104-L109 HydrophobicContact CB-CD1 4.17Å; P104-L109 HydrophobicContact CB-CD2 4Å; P104-L109 HydrophobicContact CB-CG 3.97Å; K105-L109 PolarHBondContact O-N 3.39Å; L106-L109 PolarHBondContact O-N 3.42Å; L109-S111 PolarHBondContact O-N 2.96Å; L109-L112 HydrophobicContact CD2-CD1 4.26Å; L109-L112 WeakPolarHBondContact O-CB 3.3Å; L109-L112 WeakPolarHBondContact O-CG 3.28Å; L109-L112 PolarHBondContact O-N 3.26Å; L109-M115 WeakPolarHBondContact O-CG 3.48Å; L109-L122 HydrophobicContact CB-CD1 4.33Å; L109-L122 HydrophobicContact CD1-CD1 4.37Å
110N93.6Very high91.6Very high48 Ų4867.7 Ų67.726%0.25738%0.375SS..Hα-helixtrans-61.7-23.9176.5-80.4-24.4000113.1L106 E107 L112 L122L106-N110 WeakPolarHBondContact O-CB 3.48Å; L106-N110 PolarHBondContact O-N 3.04Å; E107-N110 PolarHBondContact O-N 3.32Å; N110-L112 VanDerWaalsContact C-N 3.3Å; N110-L112 PolarHBondContact O-N 3.48Å; N110-L122 PolarHBondContact ND2-O 2.98Å; N110-L122 WeakPolarHBondContact OD1-CB 3.27Å; N110-L122 PolarHBondContact OD1-N 2.99Å
111S93.1Very high91.6Very high84 Ų8466.1 Ų66.159%0.58738%0.375SS*.THydrogen-bonded Turntrans-78-7.5175.879.70000114.7E107 T108 L109E107-S111 PolarHBondContact O-N 2.87Å; T108-S111 PolarHBondContact O-N 3.26Å; T108-S111 PolarHBondContact O-OG 3.24Å; L109-S111 PolarHBondContact O-N 2.96Å
112L92.8Very high91.6Very high17 Ų1760.9 Ų60.99%0.08935%0.347CS..SBendtrans-73.2130.7179.8-61.3-179.9000111.4I50 R53 F54 L109 N110 C114 M115 S116I50-L112 HydrophobicContact CD1-CD1 4.43Å; I50-L112 HydrophobicContact CG1-CD1 3.98Å; I50-L112 HydrophobicContact CG2-CD1 4.26Å; R53-L112 HydrophobicContact CG-CD2 3.85Å; F54-L112 HydrophobicContact CE2-CD1 4.08Å; F54-L112 HydrophobicContact CE2-CD2 4.48Å; L109-L112 HydrophobicContact CD2-CD1 4.26Å; L109-L112 WeakPolarHBondContact O-CB 3.3Å; L109-L112 WeakPolarHBondContact O-CG 3.28Å; L109-L112 PolarHBondContact O-N 3.26Å; N110-L112 VanDerWaalsContact C-N 3.3Å; N110-L112 PolarHBondContact O-N 3.48Å; L112-C114 PolarHBondContact O-N 3.39Å; L112-M115 HydrophobicContact CB-CG 4.26Å; L112-M115 WeakPolarHBondContact O-CB 3.36Å; L112-M115 PolarHBondContact O-N 3.16Å; L112-S116 PolarHBondContact O-N 3.47Å
113G88.6Confident91.8Very high57 Ų5760 Ų6059%0.58835%0.353SS*.Hα-helixtrans-58.8-21.1178.100000114.8S116 S117G113-S116 WeakPolarHBondContact O-CB 3.44Å; G113-S116 PolarHBondContact O-N 2.67Å; G113-S117 PolarHBondContact O-N 2.85Å
114C87.1Confident91.7Very high31 Ų3166.6 Ų66.621%0.20938%0.381CS..Hα-helixtrans-69.1-37.117157.70000112.5L46 L112 S116 S117 M118L46-C114 HydrophobicContact CD1-CB 4.46Å; L112-C114 PolarHBondContact O-N 3.39Å; C114-S116 VanDerWaalsContact C-N 3.31Å; C114-S116 PolarHBondContact O-N 3.37Å; C114-S117 WeakPolarHBondContact CA-OG 3.43Å; C114-S117 PolarHBondContact O-N 3.08Å; C114-S117 PolarHBondContact O-OG 3.15Å; C114-M118 VanDerWaalsContact C-CE 3.45Å; C114-M118 HydrophobicContact CB-CE 4.1Å; C114-M118 WeakPolarHBondContact O-CE 3.36Å; C114-M118 WeakPolarHBondContact O-CG 3.36Å; C114-M118 PolarHBondContact O-N 3.28Å
115M90.3Very high91.8Very high1 Ų174.1 Ų74.11%0.00542%0.415CS..Hα-helixtrans-61.1-43.9172.1-61.2-56.611600110.4L46 I50 L87 L109 L112 S117 M118 N119 L120L46-M115 HydrophobicContact CD1-CE 4.35Å; I50-M115 HydrophobicContact CD1-CE 3.77Å; L87-M115 HydrophobicContact CD1-CE 3.95Å; L87-M115 HydrophobicContact CD1-SD 3.66Å; L87-M115 HydrophobicContact CD2-CE 3.92Å; L109-M115 WeakPolarHBondContact O-CG 3.48Å; L112-M115 HydrophobicContact CB-CG 4.26Å; L112-M115 WeakPolarHBondContact O-CB 3.36Å; L112-M115 PolarHBondContact O-N 3.16Å; M115-S117 PolarHBondContact O-N 3.39Å; M115-M118 HydrophobicContact CE-CE 3.4Å; M115-M118 CarbonylContact O-C 3.6Å; M115-M118 PolarHBondContact O-N 2.93Å; M115-M118 HydrophobicContact SD-CE 4.04Å; M115-N119 PolarHBondContact O-N 3.46Å; M115-N119 VanDerWaalsContact O-N 3.09Å; M115-L120 PolarHBondContact O-N 3.26Å; M115-L120 HydrophobicContact SD-CD2 3.87Å
116S87.6Confident91.8Very high79 Ų7968.8 Ų68.855%0.55240%0.4SS*.Hα-helixtrans-58.9-45.6174.3-47.60000112.4L112 G113 C114 M118 N119L112-S116 PolarHBondContact O-N 3.47Å; G113-S116 WeakPolarHBondContact O-CB 3.44Å; G113-S116 PolarHBondContact O-N 2.67Å; C114-S116 VanDerWaalsContact C-N 3.31Å; C114-S116 PolarHBondContact O-N 3.37Å; S116-M118 VanDerWaalsContact C-N 3.26Å; S116-M118 PolarHBondContact O-N 2.82Å; S116-N119 PolarHBondContact O-N 2.86Å
117S88.6Confident91.8Very high94 Ų9467.1 Ų67.166%0.65739%0.391SS*.Hα-helixtrans-66.7-26.9178.963.80000113.5G113 C114 M115 N119G113-S117 PolarHBondContact O-N 2.85Å; C114-S117 WeakPolarHBondContact CA-OG 3.43Å; C114-S117 PolarHBondContact O-N 3.08Å; C114-S117 PolarHBondContact O-OG 3.15Å; M115-S117 PolarHBondContact O-N 3.39Å; S117-N119 VanDerWaalsContact C-N 3.32Å
118M88.6Confident91.9Very high36 Ų3663 Ų6318%0.17737%0.374CS..THydrogen-bonded Turntrans-86.2-2.1174-65.8179.3-73.100113Y42 L46 H83 C114 M115 S116 L120Y42-M118 PolarHBondContact OH-SD 3.41Å; L46-M118 HydrophobicContact CD1-CE 3.65Å; L46-M118 HydrophobicContact CD1-SD 4.3Å; L46-M118 HydrophobicContact CD2-CE 3.89Å; L46-M118 HydrophobicContact CD2-SD 3.87Å; L46-M118 HydrophobicContact CG-CE 4.45Å; H83-M118 PolarHBondContact CD2-SD 3.41Å; C114-M118 VanDerWaalsContact C-CE 3.45Å; C114-M118 HydrophobicContact CB-CE 4.1Å; C114-M118 WeakPolarHBondContact O-CE 3.36Å; C114-M118 WeakPolarHBondContact O-CG 3.36Å; C114-M118 PolarHBondContact O-N 3.28Å; M115-M118 HydrophobicContact CE-CE 3.4Å; M115-M118 CarbonylContact O-C 3.6Å; M115-M118 PolarHBondContact O-N 2.93Å; M115-M118 HydrophobicContact SD-CE 4.04Å; S116-M118 VanDerWaalsContact C-N 3.26Å; S116-M118 PolarHBondContact O-N 2.82Å; M118-L120 HydrophobicContact CB-CB 4.17Å; M118-L120 PolarHBondContact O-N 3.11Å
119N87.9Confident92.1Very high150 Ų15066.2 Ų66.280%0.80239%0.385SS*.THydrogen-bonded Turntrans52.131.8-170.6-61.2-87.6000113.1M115 S116 S117M115-N119 PolarHBondContact O-N 3.46Å; M115-N119 VanDerWaalsContact O-N 3.09Å; S116-N119 PolarHBondContact O-N 2.86Å; S117-N119 VanDerWaalsContact C-N 3.32Å
120L91.3Very high92.3Very high24 Ų2467.2 Ų67.213%0.12639%0.389CS..  trans-98133.6-175.3-173.966.7000111H83 I84 L87 M115 M118 L122H83-L120 HydrophobicContact CB-CD1 4.46Å; H83-L120 HydrophobicContact CB-CD2 3.75Å; I84-L120 HydrophobicContact CG1-CD1 4.4Å; L87-L120 HydrophobicContact CD1-CD2 3.57Å; M115-L120 PolarHBondContact O-N 3.26Å; M115-L120 HydrophobicContact SD-CD2 3.87Å; M118-L120 HydrophobicContact CB-CB 4.17Å; M118-L120 PolarHBondContact O-N 3.11Å; L120-L122 HydrophobicContact CD2-CD2 4.36Å
121V92.2Very high92.5Very high112 Ų11265.3 Ų65.368%0.67938%0.379SS*.  trans-127.6114.4170.5-178.60000108.4
122L93.1Very high92.7Very high7 Ų765.2 Ų65.24%0.03737%0.372CS..  trans-75.3128.3174.3-62176.5000109.7I84 L87 L106 L109 N110 L120 L127I84-L122 HydrophobicContact CG1-CD2 4.37Å; L87-L122 HydrophobicContact CB-CD1 4.42Å; L87-L122 HydrophobicContact CD1-CD1 4.12Å; L87-L122 HydrophobicContact CD1-CD2 4.02Å; L87-L122 HydrophobicContact CD1-CG 4.38Å; L106-L122 HydrophobicContact CD1-CB 3.49Å; L106-L122 VanDerWaalsContact CD1-CB 3.49Å; L106-L122 HydrophobicContact CD1-CD1 4.28Å; L109-L122 HydrophobicContact CB-CD1 4.33Å; L109-L122 HydrophobicContact CD1-CD1 4.37Å; N110-L122 PolarHBondContact ND2-O 2.98Å; N110-L122 WeakPolarHBondContact OD1-CB 3.27Å; N110-L122 PolarHBondContact OD1-N 2.99Å; L120-L122 HydrophobicContact CD2-CD2 4.36Å; L122-L127 HydrophobicContact CD1-CD1 4.28Å; L122-L127 HydrophobicContact CD2-CD1 4.38Å
123T95.1Very high93Very high83 Ų8367.2 Ų67.251%0.50938%0.382SS..  trans-98.4146.2169.468.60000109.9Q125 G126 L127T123-Q125 PolarHBondContact O-N 3.4Å; T123-G126 PolarHBondContact O-N 3.03Å; T123-G126 PolarHBondContact OG1-N 2.94Å; T123-G126 VanDerWaalsContact OG1-N 3.11Å; T123-L127 VanDerWaalsContact O-CB 3.3Å; T123-L127 WeakPolarHBondContact O-CB 3.2Å; T123-L127 PolarHBondContact O-N 3.22Å
124K94.6Very high93.4Very high152 Ų15264.5 Ų64.566%0.66135%0.354SS*.Hα-helixtrans-55.6-38.7178.1-176.5177.1177.9178.80112.1L106 L128L106-K124 HydrophobicContact CD2-CB 3.76Å; L106-K124 HydrophobicContact CD2-CG 4.47Å; K124-L128 HydrophobicContact CG-CD1 3.91Å; K124-L128 HydrophobicContact CG-CG 4.48Å; K124-L128 WeakPolarHBondContact O-CB 3.1Å; K124-L128 VanDerWaalsContact O-CG 3.24Å; K124-L128 WeakPolarHBondContact O-CG 3.46Å; K124-L128 PolarHBondContact O-N 3.27Å
125Q95.5Very high94Very high165 Ų16564.1 Ų64.177%0.77135%0.35SS*.Hα-helixtrans-70.8-47.6179.9-175.9177-4.900112.5T123 L127 L128 H129T123-Q125 PolarHBondContact O-N 3.4Å; Q125-L127 VanDerWaalsContact C-N 3.3Å; Q125-L127 PolarHBondContact O-N 2.96Å; Q125-L128 PolarHBondContact O-N 3.03Å; Q125-H129 WeakPolarHBondContact O-CB 3.32Å; Q125-H129 PolarHBondContact O-N 3.11Å
126G94.1Very high94.3Very high27 Ų2770 Ų7028%0.27838%0.377SS..Hα-helixtrans-63.9-37.2178.800000112.4T123 M130T123-G126 PolarHBondContact O-N 3.03Å; T123-G126 PolarHBondContact OG1-N 2.94Å; T123-G126 VanDerWaalsContact OG1-N 3.11Å; G126-M130 PolarHBondContact O-N 3.49Å; G126-M130 VanDerWaalsContact O-N 3.12Å
127L94.7Very high94.8Very high12 Ų1266.8 Ų66.86%0.06336%0.355CS..Hα-helixtrans-66.8-52.3176.2-166.473.1000111.9S88 L91 L106 L122 T123 Q125 H129 M130 E131S88-L127 WeakPolarHBondContact OG-CD1 3.3Å; L91-L127 HydrophobicContact CD1-CD1 3.97Å; L91-L127 HydrophobicContact CD1-CD2 3.51Å; L91-L127 HydrophobicContact CD1-CG 4.11Å; L106-L127 HydrophobicContact CD1-CD2 4.06Å; L122-L127 HydrophobicContact CD1-CD1 4.28Å; L122-L127 HydrophobicContact CD2-CD1 4.38Å; T123-L127 VanDerWaalsContact O-CB 3.3Å; T123-L127 WeakPolarHBondContact O-CB 3.2Å; T123-L127 PolarHBondContact O-N 3.22Å; Q125-L127 VanDerWaalsContact C-N 3.3Å; Q125-L127 PolarHBondContact O-N 2.96Å; L127-H129 VanDerWaalsContact C-N 3.27Å; L127-H129 PolarHBondContact O-N 3.23Å; L127-M130 PolarHBondContact O-N 2.87Å; L127-M130 VanDerWaalsContact O-N 3.11Å; L127-E131 WeakPolarHBondContact O-CG 3.46Å; L127-E131 PolarHBondContact O-N 2.63Å
128L95.6Very high95.1Very high82 Ų8263 Ų6343%0.42933%0.326SS..Hα-helixtrans-60-36.8178.2-74.4171.3000112.6K124 Q125 L132K124-L128 HydrophobicContact CG-CD1 3.91Å; K124-L128 HydrophobicContact CG-CG 4.48Å; K124-L128 WeakPolarHBondContact O-CB 3.1Å; K124-L128 VanDerWaalsContact O-CG 3.24Å; K124-L128 WeakPolarHBondContact O-CG 3.46Å; K124-L128 PolarHBondContact O-N 3.27Å; Q125-L128 PolarHBondContact O-N 3.03Å; L128-L132 WeakPolarHBondContact O-CB 3.5Å; L128-L132 VanDerWaalsContact O-CG 3.3Å; L128-L132 WeakPolarHBondContact O-CG 3.4Å; L128-L132 PolarHBondContact O-N 3.5Å
129H97.1Very high95.5Very high126 Ų12666.1 Ų66.158%0.58335%0.352SS*.Hα-helixtrans-64.1-43.1175.1177.652.9000112Q125 L127 L132 L133Q125-H129 WeakPolarHBondContact O-CB 3.32Å; Q125-H129 PolarHBondContact O-N 3.11Å; L127-H129 VanDerWaalsContact C-N 3.27Å; L127-H129 PolarHBondContact O-N 3.23Å; H129-L132 PolarHBondContact O-N 3.22Å; H129-L133 WeakPolarHBondContact O-CB 3.5Å; H129-L133 PolarHBondContact O-N 3.09Å
130M97.4Very high96Very high24 Ų2466.6 Ų66.612%0.11834%0.342CS..Hα-helixtrans-69.7-39.1177.5-171.359.466.100112.5I84 V85 S88 G126 L127 L132 L133 L134I84-M130 HydrophobicContact CG2-CB 4.07Å; I84-M130 HydrophobicContact CG2-CG 4.2Å; V85-M130 HydrophobicContact CB-SD 4.44Å; V85-M130 HydrophobicContact CG2-CE 3.83Å; V85-M130 HydrophobicContact CG2-CG 4.49Å; V85-M130 HydrophobicContact CG2-SD 3.65Å; S88-M130 WeakPolarHBondContact OG-CB 3.46Å; S88-M130 VanDerWaalsContact OG-CG 3.29Å; S88-M130 WeakPolarHBondContact OG-CG 3.45Å; G126-M130 PolarHBondContact O-N 3.49Å; G126-M130 VanDerWaalsContact O-N 3.12Å; L127-M130 PolarHBondContact O-N 2.87Å; L127-M130 VanDerWaalsContact O-N 3.11Å; M130-L132 VanDerWaalsContact C-N 3.34Å; M130-L132 PolarHBondContact O-N 2.75Å; M130-L133 PolarHBondContact O-N 3.31Å; M130-L133 HydrophobicContact SD-CD2 4.15Å; M130-L134 HydrophobicContact CG-CD1 4.15Å; M130-L134 WeakPolarHBondContact O-CB 3.5Å; M130-L134 WeakPolarHBondContact O-CD1 3.5Å; M130-L134 VanDerWaalsContact O-CG 3.32Å; M130-L134 WeakPolarHBondContact O-CG 3.46Å; M130-L134 PolarHBondContact O-N 2.92Å
131E97.6Very high96.2Very high9 Ų968.4 Ų68.44%0.04235%0.352CS..Hα-helixtrans-60.6-42.1173.5-71.2-165.9112.600111.8L92 K95 L127 L134 L135L92-E131 HydrophobicContact CD2-CB 4.07Å; L92-E131 HydrophobicContact CD2-CG 4.2Å; L92-E131 HydrophobicContact CG-CB 4.35Å; L92-E131 HydrophobicContact CG-CG 4.19Å; K95-E131 IonicContact NZ-OE1 2.67Å; K95-E131 PolarHBondContact NZ-OE1 2.93Å; K95-E131 IonicContact NZ-OE2 2.8Å; K95-E131 PolarHBondContact NZ-OE2 2.89Å; L127-E131 WeakPolarHBondContact O-CG 3.46Å; L127-E131 PolarHBondContact O-N 2.63Å; E131-L134 PolarHBondContact O-N 3.35Å; E131-L135 WeakPolarHBondContact O-CB 3.4Å; E131-L135 WeakPolarHBondContact O-CD1 3.48Å; E131-L135 VanDerWaalsContact O-CG 3.26Å; E131-L135 WeakPolarHBondContact O-CG 3.49Å; E131-L135 PolarHBondContact O-N 2.91Å
132L97.9Very high96.4Very high82 Ų8263.8 Ų63.843%0.42932%0.323SS..Hα-helixtrans-65.3-45.6175.1-73.1168.7000112.2L128 H129 M130 L134 L135 E136 W140L128-L132 WeakPolarHBondContact O-CB 3.5Å; L128-L132 VanDerWaalsContact O-CG 3.3Å; L128-L132 WeakPolarHBondContact O-CG 3.4Å; L128-L132 PolarHBondContact O-N 3.5Å; H129-L132 PolarHBondContact O-N 3.22Å; M130-L132 VanDerWaalsContact C-N 3.34Å; M130-L132 PolarHBondContact O-N 2.75Å; L132-L134 VanDerWaalsContact C-N 3.29Å; L132-L134 PolarHBondContact O-N 3.45Å; L132-L135 PolarHBondContact O-N 3.23Å; L132-E136 WeakPolarHBondContact O-CG 3.44Å; L132-E136 PolarHBondContact O-N 3.05Å; L132-W140 HydrophobicContact CD2-CH2 4.02Å; L132-W140 HydrophobicContact CD2-CZ2 4.26Å
133L97.8Very high96.5Very high58 Ų5867.3 Ų67.330%0.30434%0.337SS..Hα-helixtrans-59.4-39.5177.1177.761.5000112.3F71 H129 M130 T137F71-L133 HydrophobicContact CE2-CD2 4.47Å; F71-L133 HydrophobicContact CE2-CG 4.36Å; F71-L133 HydrophobicContact CZ-CD2 4.16Å; H129-L133 WeakPolarHBondContact O-CB 3.5Å; H129-L133 PolarHBondContact O-N 3.09Å; M130-L133 PolarHBondContact O-N 3.31Å; M130-L133 HydrophobicContact SD-CD2 4.15Å; L133-T137 WeakPolarHBondContact O-CB 3.37Å; L133-T137 PolarHBondContact O-N 3.36Å; L133-T137 PolarHBondContact O-OG1 3.19Å
134L98.2Very high96.6Very high0 Ų063.6 Ų63.60%031%0.314CS..Hα-helixtrans-66.2-47.1174.1-74.2164.2000111.2F71 L92 M130 E131 L132 E136 T137 F138F71-L134 HydrophobicContact CB-CD2 4.23Å; F71-L134 HydrophobicContact CD2-CD2 3.43Å; F71-L134 VanDerWaalsContact CD2-CD2 3.43Å; F71-L134 HydrophobicContact CE2-CD2 3.91Å; F71-L134 HydrophobicContact CG-CD2 3.9Å; L92-L134 HydrophobicContact CD1-CB 3.5Å; L92-L134 VanDerWaalsContact CD1-CB 3.5Å; L92-L134 HydrophobicContact CD1-CD1 4.01Å; L92-L134 HydrophobicContact CD1-CG 4.4Å; M130-L134 HydrophobicContact CG-CD1 4.15Å; M130-L134 WeakPolarHBondContact O-CB 3.5Å; M130-L134 WeakPolarHBondContact O-CD1 3.5Å; M130-L134 VanDerWaalsContact O-CG 3.32Å; M130-L134 WeakPolarHBondContact O-CG 3.46Å; M130-L134 PolarHBondContact O-N 2.92Å; E131-L134 PolarHBondContact O-N 3.35Å; L132-L134 VanDerWaalsContact C-N 3.29Å; L132-L134 PolarHBondContact O-N 3.45Å; L134-E136 VanDerWaalsContact C-N 3.32Å; L134-E136 PolarHBondContact O-N 2.85Å; L134-T137 WeakPolarHBondContact O-CB 3.44Å; L134-T137 PolarHBondContact O-N 3.36Å; L134-T137 VanDerWaalsContact O-N 3.16Å; L134-F138 HydrophobicContact CD2-CE2 3.98Å; L134-F138 WeakPolarHBondContact O-CD2 3.33Å; L134-F138 PolarHBondContact O-N 2.92Å
135L98.4Very high96.7Very high24 Ų2456.4 Ų56.413%0.12628%0.282CS..Hα-helixtrans-58.9-41.7176.8-74.8163000112.1L92 E131 L132 F138 S139 W140 L142L92-L135 HydrophobicContact CD1-CG 4.11Å; L92-L135 HydrophobicContact CD2-CD1 3.89Å; L92-L135 HydrophobicContact CD2-CD2 4.2Å; L92-L135 HydrophobicContact CD2-CG 3.94Å; E131-L135 WeakPolarHBondContact O-CB 3.4Å; E131-L135 WeakPolarHBondContact O-CD1 3.48Å; E131-L135 VanDerWaalsContact O-CG 3.26Å; E131-L135 WeakPolarHBondContact O-CG 3.49Å; E131-L135 PolarHBondContact O-N 2.91Å; L132-L135 PolarHBondContact O-N 3.23Å; L135-F138 CarbonylContact O-C 3.55Å; L135-F138 PolarHBondContact O-N 3.38Å; L135-S139 PolarHBondContact O-N 3.18Å; L135-W140 HydrophobicContact CB-CD2 4.04Å; L135-W140 HydrophobicContact CB-CE3 4.21Å; L135-W140 HydrophobicContact CB-CH2 4.34Å; L135-W140 HydrophobicContact CB-CZ2 4.16Å; L135-W140 HydrophobicContact CB-CZ3 4.37Å; L135-W140 HydrophobicContact CD1-CE3 4.21Å; L135-W140 HydrophobicContact CD1-CH2 3.95Å; L135-W140 HydrophobicContact CD1-CZ3 3.75Å; L135-W140 HydrophobicContact CD2-CD2 4.45Å; L135-W140 HydrophobicContact CD2-CE3 4.02Å; L135-W140 HydrophobicContact CD2-CZ3 4.39Å; L135-W140 HydrophobicContact CG-CE3 4.38Å; L135-W140 HydrophobicContact CG-CZ3 4.4Å; L135-W140 PolarHBondContact O-N 3.09Å; L135-L142 HydrophobicContact CD2-CD1 3.87Å; L135-L142 HydrophobicContact CD2-CD2 4.34Å; L135-L142 HydrophobicContact CD2-CG 4.07Å
136E97.8Very high96.9Very high124 Ų12448.9 Ų48.958%0.57925%0.248SC*.Hα-helixtrans-64.1-45.1173.3-71.3174.9175.800111.9L132 L134 F138 S139L132-E136 WeakPolarHBondContact O-CG 3.44Å; L132-E136 PolarHBondContact O-N 3.05Å; L134-E136 VanDerWaalsContact C-N 3.32Å; L134-E136 PolarHBondContact O-N 2.85Å; E136-F138 PolarHBondContact O-N 3.21Å; E136-S139 PolarHBondContact O-N 2.88Å
137T96.6Very high97.1Very high12 Ų1247.9 Ų47.97%0.07424%0.237CC..Hα-helixtrans-55.4-38.5176-62.70000112.7F71 R74 Y75 L133 L134F71-T137 HydrophobicContact CD2-CG2 4.15Å; R74-T137 PolarHBondContact NH1-O 3.08Å; Y75-T137 HydrophobicContact CE2-CG2 3.82Å; L133-T137 WeakPolarHBondContact O-CB 3.37Å; L133-T137 PolarHBondContact O-N 3.36Å; L133-T137 PolarHBondContact O-OG1 3.19Å; L134-T137 WeakPolarHBondContact O-CB 3.44Å; L134-T137 PolarHBondContact O-N 3.36Å; L134-T137 VanDerWaalsContact O-N 3.16Å
138F96.4Very high97.2Very high15 Ų1547.8 Ų47.87%0.06624%0.238CC..THydrogen-bonded Turntrans-94.18178.1-61.1-62.1000113.7L67 L70 L134 L135 E136 W140 N141 L142L67-F138 HydrophobicContact CB-CE2 4.15Å; L67-F138 HydrophobicContact CB-CZ 4.33Å; L67-F138 HydrophobicContact CD2-CD1 4.28Å; L67-F138 HydrophobicContact CD2-CD2 3.56Å; L67-F138 HydrophobicContact CD2-CE1 4.21Å; L67-F138 HydrophobicContact CD2-CE2 3.48Å; L67-F138 VanDerWaalsContact CD2-CE2 3.48Å; L67-F138 HydrophobicContact CD2-CG 4Å; L67-F138 HydrophobicContact CD2-CZ 3.84Å; L67-F138 HydrophobicContact CG-CE2 4.39Å; L67-F138 WeakPolarHBondContact O-CZ 3.29Å; L70-F138 HydrophobicContact CB-CE1 3.67Å; L70-F138 HydrophobicContact CB-CZ 3.94Å; L70-F138 HydrophobicContact CD1-CE1 3.86Å; L70-F138 HydrophobicContact CG-CE1 4.47Å; L134-F138 HydrophobicContact CD2-CE2 3.98Å; L134-F138 WeakPolarHBondContact O-CD2 3.33Å; L134-F138 PolarHBondContact O-N 2.92Å; L135-F138 CarbonylContact O-C 3.55Å; L135-F138 PolarHBondContact O-N 3.38Å; E136-F138 PolarHBondContact O-N 3.21Å; F138-W140 PolarHBondContact O-N 3.04Å; F138-N141 PolarHBondContact O-N 3.23Å; F138-L142 HydrophobicContact CB-CD2 4.42Å; F138-L142 HydrophobicContact CD2-CD2 4.39Å
139S96.8Very high97.3Very high101 Ų10145.1 Ų45.171%0.70622%0.223SC*.THydrogen-bonded Turntrans50.439.4-178.7-550000112.7L135 E136 N141L135-S139 PolarHBondContact O-N 3.18Å; E136-S139 PolarHBondContact O-N 2.88Å; S139-N141 PolarHBondContact O-N 3.22Å
140W97.3Very high97.4Very high159 Ų15939.1 Ų39.160%0.60220%0.195SC*.THydrogen-bonded Turntrans606.3-176.6-59.474.3000115.5L132 L135 F138 L142L132-W140 HydrophobicContact CD2-CH2 4.02Å; L132-W140 HydrophobicContact CD2-CZ2 4.26Å; L135-W140 HydrophobicContact CB-CD2 4.04Å; L135-W140 HydrophobicContact CB-CE3 4.21Å; L135-W140 HydrophobicContact CB-CH2 4.34Å; L135-W140 HydrophobicContact CB-CZ2 4.16Å; L135-W140 HydrophobicContact CB-CZ3 4.37Å; L135-W140 HydrophobicContact CD1-CE3 4.21Å; L135-W140 HydrophobicContact CD1-CH2 3.95Å; L135-W140 HydrophobicContact CD1-CZ3 3.75Å; L135-W140 HydrophobicContact CD2-CD2 4.45Å; L135-W140 HydrophobicContact CD2-CE3 4.02Å; L135-W140 HydrophobicContact CD2-CZ3 4.39Å; L135-W140 HydrophobicContact CG-CE3 4.38Å; L135-W140 HydrophobicContact CG-CZ3 4.4Å; L135-W140 PolarHBondContact O-N 3.09Å; F138-W140 PolarHBondContact O-N 3.04Å; W140-L142 PolarHBondContact O-N 3.48Å
141N95.8Very high97.4Very high62 Ų6238 Ų3833%0.33219%0.19SC..  trans-88.689.5171.5176.292.6000110.4K23 F138 S139 Y143K23-N141 PolarHBondContact NZ-ND2 3.48Å; K23-N141 PolarHBondContact NZ-OD1 2.96Å; F138-N141 PolarHBondContact O-N 3.23Å; S139-N141 PolarHBondContact O-N 3.22Å; N141-Y143 PolarHBondContact ND2-O 3.23Å
142L96.3Very high97.4Very high15 Ų1540.5 Ų40.58%0.07920%0.203CC..  trans-83.4-13.3167.8-62.7-175.3000113.5L67 L92 F96 L135 F138 W140 L144L67-L142 HydrophobicContact CD1-CD2 4.21Å; L67-L142 HydrophobicContact CD2-CD2 3.84Å; L92-L142 HydrophobicContact CB-CD1 4.11Å; F96-L142 HydrophobicContact CB-CD1 4.37Å; F96-L142 HydrophobicContact CD1-CB 4.49Å; F96-L142 HydrophobicContact CD2-CB 3.84Å; F96-L142 HydrophobicContact CE2-CB 4.14Å; F96-L142 HydrophobicContact CG-CB 4.04Å; L135-L142 HydrophobicContact CD2-CD1 3.87Å; L135-L142 HydrophobicContact CD2-CD2 4.34Å; L135-L142 HydrophobicContact CD2-CG 4.07Å; F138-L142 HydrophobicContact CB-CD2 4.42Å; F138-L142 HydrophobicContact CD2-CD2 4.39Å; W140-L142 PolarHBondContact O-N 3.48Å; L142-L144 PolarHBondContact O-N 3Å
143Y95.4Very high97.4Very high82 Ų8237.8 Ų37.832%0.32219%0.188SC..  trans-64.998.5172.3-177.1-137.8000109.8L20 K23 F96 N141L20-Y143 HydrophobicContact CD2-CE2 4.08Å; K23-Y143 HydrophobicContact CB-CE1 4.17Å; K23-Y143 HydrophobicContact CD-CD1 3.86Å; K23-Y143 HydrophobicContact CD-CE1 3.85Å; K23-Y143 VanDerWaalsContact CE-CD1 3.45Å; K23-Y143 WeakPolarHBondContact CE-O 3.26Å; K23-Y143 HydrophobicContact CG-CD1 4Å; K23-Y143 HydrophobicContact CG-CE1 3.66Å; K23-Y143 PolarHBondContact NZ-O 3.06Å; F96-Y143 HydrophobicContact CZ-CD2 4.4Å; N141-Y143 PolarHBondContact ND2-O 3.23Å
144L97.1Very high97.4Very high4 Ų435 Ų352%0.02117%0.173CC..  trans-143.887.9-172.4-66.7174.7000108L27 P28 L63 Y66 L67 L142 T146L27-L144 HydrophobicContact CD2-CB 4.02Å; L27-L144 HydrophobicContact CD2-CD2 3.7Å; L27-L144 HydrophobicContact CD2-CG 4.48Å; P28-L144 HydrophobicContact CG-CD2 4.26Å; L63-L144 HydrophobicContact CD1-CB 3.92Å; L63-L144 HydrophobicContact CD1-CD1 4.35Å; Y66-L144 HydrophobicContact CD1-CB 4.1Å; Y66-L144 HydrophobicContact CD1-CD1 4.2Å; Y66-L144 HydrophobicContact CE1-CB 4Å; Y66-L144 HydrophobicContact CE1-CD1 4.1Å; Y66-L144 HydrophobicContact CE1-CD2 4.45Å; Y66-L144 HydrophobicContact CE1-CG 4.42Å; L67-L144 HydrophobicContact CD2-CD1 3.8Å; L142-L144 PolarHBondContact O-N 3Å; L144-T146 WeakPolarHBondContact O-CG2 3.41Å; L144-T146 PolarHBondContact O-N 3.17Å
145P97.4Very high97.4Very high1 Ų136.4 Ų36.41%0.00618%0.18CC..  trans-62.8131.1-170.925.2-35.9000112.1L20 K23 E24 H149 F150 P202L20-P145 HydrophobicContact CD2-CB 3.84Å; K23-P145 HydrophobicContact CB-CG 4.05Å; K23-P145 VanDerWaalsContact CG-CD 3.47Å; K23-P145 HydrophobicContact CG-CG 3.77Å; E24-P145 HydrophobicContact CB-CG 4.38Å; P145-H149 HydrophobicContact CB-CB 4.46Å; P145-F150 HydrophobicContact CB-CE2 4.29Å; P145-P202 WeakPolarHBondContact O-CG 3.37Å
146T98.4Very high97.3Very high8 Ų838.1 Ų38.15%0.04919%0.194CC..  trans-111174.4-178.9640000111.5H62 L144 A148 H149 F150H62-T146 HydrophobicContact CB-CG2 3.97Å; H62-T146 WeakPolarHBondContact CB-OG1 3.39Å; L144-T146 WeakPolarHBondContact O-CG2 3.41Å; L144-T146 PolarHBondContact O-N 3.17Å; T146-A148 PolarHBondContact O-N 2.99Å; T146-H149 PolarHBondContact N-ND1 3.37Å; T146-H149 VanDerWaalsContact O-CB 3.3Å; T146-H149 WeakPolarHBondContact O-CB 3.46Å; T146-H149 PolarHBondContact O-N 3.47Å; T146-H149 PolarHBondContact OG1-ND1 2.95Å; T146-F150 WeakPolarHBondContact O-CD2 3.28Å
147A98.6Very high97.2Very high6 Ų634 Ų345%0.0518%0.178CC..THydrogen-bonded Turntrans-58.4-36.5179.200000112.5H149 F150 I151 L188 V205 A206A147-H149 PolarHBondContact O-N 3.4Å; A147-F150 PolarHBondContact O-N 3.47Å; A147-I151 PolarHBondContact O-N 2.99Å; A147-L188 HydrophobicContact CB-CD2 3.47Å; A147-L188 VanDerWaalsContact CB-CD2 3.47Å; A147-V205 HydrophobicContact CB-CB 3.99Å; A147-V205 HydrophobicContact CB-CG1 3.83Å; A147-A206 HydrophobicContact CB-CB 4.22Å; A147-A206 WeakPolarHBondContact O-CB 3.41Å
148A98.1Very high97.2Very high9 Ų933.4 Ų33.47%0.07417%0.174CC..Hα-helixtrans-57.3-30.7172.600000113.9P58 H62 T146 F150 L188P58-A148 HydrophobicContact CB-CB 3.75Å; H62-A148 HydrophobicContact CB-CB 4.19Å; T146-A148 PolarHBondContact O-N 2.99Å; A148-F150 PolarHBondContact O-N 3.42Å; A148-L188 HydrophobicContact CB-CD1 4.44Å
149H97.8Very high97.2Very high27 Ų2732.9 Ų32.913%0.12517%0.172CC..Hα-helixtrans-68.5-16.9176.7-72.462.7000113.5W7 L20 E97 P145 T146 A147W7-H149 WeakPolarHBondContact CZ2-O 3.37Å; L20-H149 HydrophobicContact CD2-CB 4.42Å; E97-H149 IonicContact OE1-CE1 3.26Å; E97-H149 PolarHBondContact OE1-CE1 2.97Å; E97-H149 IonicContact OE1-NE2 2.73Å; E97-H149 PolarHBondContact OE1-NE2 3.25Å; P145-H149 HydrophobicContact CB-CB 4.46Å; T146-H149 PolarHBondContact N-ND1 3.37Å; T146-H149 VanDerWaalsContact O-CB 3.3Å; T146-H149 WeakPolarHBondContact O-CB 3.46Å; T146-H149 PolarHBondContact O-N 3.47Å; T146-H149 PolarHBondContact OG1-ND1 2.95Å; A147-H149 PolarHBondContact O-N 3.4Å
150F98.6Very high97.2Very high0 Ų031.6 Ų31.60%016%0.157CC..Hα-helixtrans-108.9-18-175.1-68.5-72000113.7Y17 L20 R21 P145 T146 A147 A148 D152 Y153 Y154 P202 A206Y17-F150 AromaticContact CD2-CD1 3.82Å; Y17-F150 HydrophobicContact CD2-CD1 3.82Å; Y17-F150 AromaticContact CD2-CE1 3.99Å; Y17-F150 HydrophobicContact CD2-CE1 3.99Å; Y17-F150 AromaticContact CE2-CD1 3.56Å; Y17-F150 HydrophobicContact CE2-CD1 3.56Å; Y17-F150 AromaticContact CE2-CE1 3.81Å; Y17-F150 HydrophobicContact CE2-CE1 3.81Å; L20-F150 HydrophobicContact CB-CD1 4.43Å; L20-F150 HydrophobicContact CB-CE1 3.47Å; L20-F150 VanDerWaalsContact CB-CE1 3.47Å; L20-F150 HydrophobicContact CB-CZ 3.62Å; L20-F150 HydrophobicContact CD1-CE1 4.34Å; R21-F150 HydrophobicContact CG-CE1 4.33Å; P145-F150 HydrophobicContact CB-CE2 4.29Å; T146-F150 WeakPolarHBondContact O-CD2 3.28Å; A147-F150 PolarHBondContact O-N 3.47Å; A148-F150 PolarHBondContact O-N 3.42Å; F150-D152 PolarHBondContact O-N 2.87Å; F150-Y153 PolarHBondContact O-N 3.34Å; F150-Y154 HydrophobicContact CB-CE2 4.02Å; F150-Y154 PolarHBondContact O-N 2.65Å; F150-P202 HydrophobicContact CD2-CB 4.36Å; F150-P202 HydrophobicContact CE2-CB 4.15Å; F150-A206 HydrophobicContact CB-CB 3.7Å
151I98.2Very high96.9Very high1 Ų129.9 Ų29.91%0.00516%0.16CC..Hα-helixtrans-64.5-47.3-164.4-157.770.6000112.9A147 Y153 Y154 L155 A184 L188 A206 C209 V210A147-I151 PolarHBondContact O-N 2.99Å; I151-Y153 VanDerWaalsContact C-N 3.35Å; I151-Y153 PolarHBondContact O-N 3.42Å; I151-Y154 PolarHBondContact O-N 3.47Å; I151-Y154 VanDerWaalsContact O-N 3.09Å; I151-L155 HydrophobicContact CG1-CD1 4.05Å; I151-L155 HydrophobicContact CG1-CG 4.38Å; I151-L155 WeakPolarHBondContact O-CG 3.39Å; I151-L155 PolarHBondContact O-N 3.15Å; I151-A184 HydrophobicContact CD1-CB 4.15Å; I151-A184 HydrophobicContact CG1-CB 4.07Å; I151-L188 HydrophobicContact CB-CD1 3.82Å; I151-L188 HydrophobicContact CD1-CD1 4.27Å; I151-L188 HydrophobicContact CD1-CD2 4.37Å; I151-L188 HydrophobicContact CD1-CG 4.22Å; I151-L188 HydrophobicContact CG1-CD1 3.78Å; I151-L188 HydrophobicContact CG1-CG 4.27Å; I151-L188 HydrophobicContact CG2-CD1 3.74Å; I151-A206 HydrophobicContact CD1-CB 4.07Å; I151-A206 WeakPolarHBondContact CD1-O 3.47Å; I151-C209 HydrophobicContact CD1-CB 3.89Å; I151-V210 HydrophobicContact CD1-CG2 3.96Å
152D96.7Very high96.8Very high60 Ų6030.3 Ų30.332%0.32118%0.179SC..Hα-helixtrans-68.4-33.9-175.4-72.6-70.2000113.1W8 F150 Y154 L155 S156W8-D152 HydrophobicContact CD2-CB 3.58Å; W8-D152 VanDerWaalsContact CE2-CB 3.45Å; W8-D152 HydrophobicContact CE3-CB 3.82Å; W8-D152 HydrophobicContact CG-CB 4.13Å; W8-D152 HydrophobicContact CH2-CB 3.82Å; W8-D152 HydrophobicContact CZ2-CB 3.58Å; W8-D152 HydrophobicContact CZ3-CB 3.93Å; F150-D152 PolarHBondContact O-N 2.87Å; D152-Y154 VanDerWaalsContact C-N 3.27Å; D152-Y154 PolarHBondContact O-N 3.41Å; D152-L155 PolarHBondContact O-N 2.77Å; D152-S156 PolarHBondContact O-N 3.39Å
153Y97.6Very high96.8Very high25 Ų2529.7 Ų29.710%0.09818%0.175CC..Hα-helixtrans-62.3-37.5173-174.5-113.1000111.2W7 W8 A13 Y17 F150 I151 S156 L230W7-Y153 HydrophobicContact CH2-CD2 4.09Å; W7-Y153 AromaticContact CH2-CG 3.92Å; W7-Y153 HydrophobicContact CH2-CG 3.92Å; W7-Y153 AromaticContact CZ3-CD2 3.98Å; W7-Y153 HydrophobicContact CZ3-CD2 3.98Å; W7-Y153 HydrophobicContact CZ3-CG 4.28Å; W8-Y153 HydrophobicContact CB-CD2 3.82Å; W8-Y153 HydrophobicContact CB-CG 4.41Å; A13-Y153 HydrophobicContact CB-CD2 4.36Å; A13-Y153 HydrophobicContact CB-CE2 3.9Å; Y17-Y153 HydrophobicContact CD1-CD1 4.37Å; Y17-Y153 AromaticContact CD1-CE1 3.6Å; Y17-Y153 HydrophobicContact CD1-CE1 3.6Å; Y17-Y153 AromaticContact CD2-CD1 3.36Å; Y17-Y153 HydrophobicContact CD2-CD1 3.36Å; Y17-Y153 AromaticContact CD2-CE1 3.46Å; Y17-Y153 HydrophobicContact CD2-CE1 3.46Å; Y17-Y153 VanDerWaalsContact CD2-CE1 3.46Å; Y17-Y153 HydrophobicContact CD2-CG 4.31Å; Y17-Y153 HydrophobicContact CE1-CE1 4.07Å; Y17-Y153 AromaticContact CE2-CD1 3.8Å; Y17-Y153 HydrophobicContact CE2-CD1 3.8Å; Y17-Y153 AromaticContact CE2-CE1 3.96Å; Y17-Y153 HydrophobicContact CE2-CE1 3.96Å; Y17-Y153 AromaticContact CG-CD1 3.68Å; Y17-Y153 HydrophobicContact CG-CD1 3.68Å; Y17-Y153 AromaticContact CG-CE1 3.26Å; Y17-Y153 HydrophobicContact CG-CE1 3.26Å; Y17-Y153 AromaticContact CG-CZ 3.94Å; F150-Y153 PolarHBondContact O-N 3.34Å; I151-Y153 VanDerWaalsContact C-N 3.35Å; I151-Y153 PolarHBondContact O-N 3.42Å; Y153-S156 WeakPolarHBondContact O-CB 3.39Å; Y153-S156 PolarHBondContact O-OG 3.09Å; Y153-L230 HydrophobicContact CD1-CD2 4.05Å; Y153-L230 HydrophobicContact CD1-CG 4.31Å; Y153-L230 HydrophobicContact CE1-CD1 3.62Å; Y153-L230 HydrophobicContact CE1-CD2 3.92Å; Y153-L230 HydrophobicContact CE1-CG 3.73Å; Y153-L230 WeakPolarHBondContact OH-CD1 3.14Å
154Y98.5Very high96.8Very high0 Ų028.8 Ų28.80%018%0.176CC..Hα-helixtrans-76.8-39.6175.1-58.6-16.4000112.7Y17 F150 I151 D152 S156 V157 G158 S203 A206 A207 L230 T231Y17-Y154 HydrophobicContact CD2-CE1 4.41Å; Y17-Y154 AromaticContact CE2-CE1 3.45Å; Y17-Y154 HydrophobicContact CE2-CE1 3.45Å; Y17-Y154 VanDerWaalsContact CE2-CE1 3.45Å; Y17-Y154 AromaticContact CE2-CZ 3.88Å; Y17-Y154 AromaticContact CZ-CE1 3.77Å; Y17-Y154 PolarHBondContact OH-OH 2.94Å; F150-Y154 HydrophobicContact CB-CE2 4.02Å; F150-Y154 PolarHBondContact O-N 2.65Å; I151-Y154 PolarHBondContact O-N 3.47Å; I151-Y154 VanDerWaalsContact O-N 3.09Å; D152-Y154 VanDerWaalsContact C-N 3.27Å; D152-Y154 PolarHBondContact O-N 3.41Å; Y154-S156 PolarHBondContact O-N 3.48Å; Y154-V157 CarbonylContact O-C 3.58Å; Y154-V157 PolarHBondContact O-N 3.45Å; Y154-G158 WeakPolarHBondContact O-CA 3.07Å; Y154-G158 PolarHBondContact O-N 3.4Å; Y154-S203 VanDerWaalsContact CE2-O 3.28Å; Y154-S203 WeakPolarHBondContact CE2-O 3.4Å; Y154-S203 WeakPolarHBondContact OH-CB 3.33Å; Y154-S203 PolarHBondContact OH-O 3.35Å; Y154-A206 HydrophobicContact CD2-CB 4Å; Y154-A206 HydrophobicContact CE2-CB 3.81Å; Y154-A207 HydrophobicContact CD2-CB 4.23Å; Y154-A207 HydrophobicContact CE2-CB 3.85Å; Y154-L230 HydrophobicContact CD1-CD2 4.08Å; Y154-T231 HydrophobicContact CD1-CG2 3.75Å; Y154-T231 HydrophobicContact CD2-CG2 4.29Å; Y154-T231 HydrophobicContact CE1-CG2 3.46Å; Y154-T231 VanDerWaalsContact CE1-CG2 3.46Å; Y154-T231 HydrophobicContact CE2-CG2 4.02Å; Y154-T231 HydrophobicContact CG-CG2 4.15Å
155L97.7Very high96.8Very high29 Ų2931.9 Ų31.915%0.15219%0.19CC..Hα-helixtrans-61.6-29.1174.7-72.6172000112.2I151 D152 V157 G158 M180 A181 A184 V210I151-L155 HydrophobicContact CG1-CD1 4.05Å; I151-L155 HydrophobicContact CG1-CG 4.38Å; I151-L155 WeakPolarHBondContact O-CG 3.39Å; I151-L155 PolarHBondContact O-N 3.15Å; D152-L155 PolarHBondContact O-N 2.77Å; L155-V157 PolarHBondContact O-N 2.84Å; L155-V157 VanDerWaalsContact O-N 3.16Å; L155-G158 PolarHBondContact O-N 3.21Å; L155-M180 HydrophobicContact CD2-CE 3.82Å; L155-M180 HydrophobicContact CD2-CG 3.65Å; L155-A181 HydrophobicContact CD1-CB 4.44Å; L155-A184 HydrophobicContact CD1-CB 4.08Å; L155-A184 HydrophobicContact CD2-CB 3.89Å; L155-A184 HydrophobicContact CG-CB 4.38Å; L155-V210 HydrophobicContact CD2-CG2 4.38Å
156S95.9Very high96.7Very high60 Ų6036.3 Ų36.342%0.4221%0.214SC..THydrogen-bonded Turntrans-56.2-30.5176.281.50000114D152 Y153 Y154D152-S156 PolarHBondContact O-N 3.39Å; Y153-S156 WeakPolarHBondContact O-CB 3.39Å; Y153-S156 PolarHBondContact O-OG 3.09Å; Y154-S156 PolarHBondContact O-N 3.48Å
157V96Very high96.4Very high38 Ų3838.1 Ų38.123%0.2323%0.234CC..THydrogen-bonded Turntrans-114.910.5171.5-55.50000112.3Y154 L155 V159 R226 L227 L230Y154-V157 CarbonylContact O-C 3.58Å; Y154-V157 PolarHBondContact O-N 3.45Å; L155-V157 PolarHBondContact O-N 2.84Å; L155-V157 VanDerWaalsContact O-N 3.16Å; V157-V159 VanDerWaalsContact C-N 3.33Å; V157-V159 PolarHBondContact O-N 2.72Å; V157-R226 PolarHBondContact O-NE 2.95Å; V157-R226 PolarHBondContact O-NH2 2.68Å; V157-L227 HydrophobicContact CG2-CD2 3.76Å; V157-L227 HydrophobicContact CG2-CG 4.08Å; V157-L230 HydrophobicContact CG2-CD2 3.54Å
158G95.8Very high96.2Very high0 Ų047 Ų470%027%0.266CS..THydrogen-bonded Turntrans-60.9-41-170.300000112.5Y154 L155 R214 R226Y154-G158 WeakPolarHBondContact O-CA 3.07Å; Y154-G158 PolarHBondContact O-N 3.4Å; L155-G158 PolarHBondContact O-N 3.21Å; G158-R214 PolarHBondContact O-NH1 3.02Å; G158-R226 PolarHBondContact O-NH2 3.03Å
159V97.1Very high96Very high3 Ų351.4 Ų51.42%0.01829%0.294CS..  trans-137.9132.1178.4-173.10000110V157 D163 M170 L173 T176 K177 M180 L219V157-V159 VanDerWaalsContact C-N 3.33Å; V157-V159 PolarHBondContact O-N 2.72Å; V159-D163 WeakPolarHBondContact CA-OD2 3.45Å; V159-M170 HydrophobicContact CG1-CE 3.74Å; V159-M170 HydrophobicContact CG1-SD 3.57Å; V159-M170 VanDerWaalsContact CG1-SD 3.57Å; V159-L173 HydrophobicContact CG1-CD1 3.84Å; V159-T176 HydrophobicContact CG1-CG2 3.85Å; V159-T176 HydrophobicContact CG2-CG2 4.27Å; V159-K177 HydrophobicContact CB-CG 4.33Å; V159-M180 HydrophobicContact CG2-CB 3.91Å; V159-M180 HydrophobicContact CG2-CG 3.73Å; V159-M180 HydrophobicContact CG2-SD 4Å; V159-L219 HydrophobicContact CG2-CD1 3.82Å
160L96.1Very high95.9Very high74 Ų7451.5 Ų51.539%0.38730%0.295SS..  trans-134.3159.8176.4-64-177.3000110.2G162 D163 M170 R226L160-G162 PolarHBondContact O-N 3.12Å; L160-D163 PolarHBondContact N-OD2 3.26Å; L160-D163 WeakPolarHBondContact O-CB 3.41Å; L160-D163 PolarHBondContact O-N 2.9Å; L160-M170 WeakPolarHBondContact O-CE 3.19Å; L160-R226 VanDerWaalsContact CD1-CD 3.48Å
161D92.7Very high95.5Very high124 Ų12456.9 Ų56.966%0.66334%0.339SS*.THydrogen-bonded Turntrans-54.3-24.7-174.1-57.3-89.6000115.9D163 L173D161-D163 VanDerWaalsContact C-N 3.31Å; D161-L173 WeakPolarHBondContact OD2-CD2 3.2Å
162G91.9Very high95.4Very high71 Ų7159.4 Ų59.473%0.73236%0.357SS*.THydrogen-bonded Turntrans-82.10.6176.200000115.3L160L160-G162 PolarHBondContact O-N 3.12Å
163D96.6Very high95.3Very high2 Ų257.8 Ų57.81%0.01135%0.348CS..  trans-79.8153.5169.4-65.4-28.1000111V159 L160 D161 M170 R214 R226V159-D163 WeakPolarHBondContact CA-OD2 3.45Å; L160-D163 PolarHBondContact N-OD2 3.26Å; L160-D163 WeakPolarHBondContact O-CB 3.41Å; L160-D163 PolarHBondContact O-N 2.9Å; D161-D163 VanDerWaalsContact C-N 3.31Å; D163-M170 HydrophobicContact CB-CE 3.95Å; D163-M170 HydrophobicContact CB-SD 4.25Å; D163-R214 IonicContact OD1-NH1 3.81Å; D163-R214 IonicContact OD1-NH2 3.69Å; D163-R214 PolarHBondContact OD1-NH2 2.87Å; D163-R214 IonicContact OD2-CZ 3.65Å; D163-R214 IonicContact OD2-NH1 3.4Å; D163-R214 PolarHBondContact OD2-NH1 2.83Å; D163-R214 IonicContact OD2-NH2 2.67Å; D163-R214 PolarHBondContact OD2-NH2 2.98Å; D163-R226 IonicContact OD1-CZ 2.72Å; D163-R226 IonicContact OD1-NH1 2.68Å; D163-R226 PolarHBondContact OD1-NH1 2.92Å; D163-R226 IonicContact OD1-NH2 2.68Å; D163-R226 PolarHBondContact OD1-NH2 3.21Å; D163-R226 IonicContact OD2-CZ 3.17Å; D163-R226 IonicContact OD2-NH1 3.26Å; D163-R226 IonicContact OD2-NH2 3.11Å; D163-R226 PolarHBondContact OD2-NH2 2.63Å
164L96.9Very high95.2Very high62 Ų6262.1 Ų62.133%0.32537%0.37SS..EExtended strand (participates in β ladder)trans-112.8148.5178-53.4172.3000110.4W168 P169 L219 S220L164-W168 CarbonylContact C-O 3.46Å; L164-W168 WeakPolarHBondContact CA-O 3.41Å; L164-W168 WeakPolarHBondContact CB-O 3.41Å; L164-P169 HydrophobicContact CD2-CG 4.48Å; L164-L219 CarbonylContact O-C 3.53Å; L164-L219 VanDerWaalsContact O-CA 3.26Å; L164-L219 WeakPolarHBondContact O-CA 3.38Å; L164-S220 PolarHBondContact N-O 3.34Å; L164-S220 PolarHBondContact O-N 2.86Å
165H96.3Very high95.1Very high70 Ų7067.8 Ų67.832%0.32439%0.394SS..EExtended strand (participates in β ladder)trans-113.6124.8172.1-177.7-64.4000107.9G167 W168 M170 L219H165-G167 PolarHBondContact O-N 3.07Å; H165-G167 VanDerWaalsContact O-N 3.09Å; H165-W168 PolarHBondContact N-O 3.23Å; H165-W168 PolarHBondContact O-N 3.42Å; H165-M170 HydrophobicContact CB-CG 4.08Å; H165-L219 HydrophobicContact CB-CD2 4.02Å
166D94.4Very high95Very high94 Ų9467 Ų6750%0.50339%0.391SS..THydrogen-bonded Turntrans52.826.1-170.7-55.3-53.2000114.1W168 H218D166-W168 VanDerWaalsContact C-N 3.32Å; D166-H218 PolarHBondContact N-O 2.99Å; D166-H218 VanDerWaalsContact N-O 3.14Å; D166-H218 WeakPolarHBondContact OD1-CB 3.4Å; D166-H218 IonicContact OD1-CD2 3.34Å; D166-H218 PolarHBondContact OD1-CD2 2.89Å; D166-H218 IonicContact OD1-CG 4Å
167G93.3Very high95.1Very high46 Ų4667.8 Ų67.847%0.47439%0.387SS..THydrogen-bonded Turntrans81.12.1-17500000115.5H165H165-G167 PolarHBondContact O-N 3.07Å; H165-G167 VanDerWaalsContact O-N 3.09Å
168W94.1Very high95.1Very high192 Ų19270.8 Ų70.873%0.72740%0.401SS*.EExtended strand (participates in β ladder)trans-109.2157.8177.4-61.997000112.1L164 H165 D166 M170L164-W168 CarbonylContact C-O 3.46Å; L164-W168 WeakPolarHBondContact CA-O 3.41Å; L164-W168 WeakPolarHBondContact CB-O 3.41Å; H165-W168 PolarHBondContact N-O 3.23Å; H165-W168 PolarHBondContact O-N 3.42Å; D166-W168 VanDerWaalsContact C-N 3.32Å; W168-M170 PolarHBondContact O-N 3.13Å
169P94.4Very high95.2Very high102 Ų10275.5 Ų75.566%0.66242%0.419SS*.EExtended strand (participates in β ladder)trans-55.5134.9173.6-25.335.3000112L164 A171L164-P169 HydrophobicContact CD2-CG 4.48Å; P169-A171 PolarHBondContact O-N 3.19Å
170M94.4Very high95.2Very high28 Ų2875.5 Ų75.514%0.13842%0.419CS..  trans-61.6128.8-178.2-67.9-176-66.300112.1V159 L160 D163 H165 W168 S172 L173 T176 L219V159-M170 HydrophobicContact CG1-CE 3.74Å; V159-M170 HydrophobicContact CG1-SD 3.57Å; V159-M170 VanDerWaalsContact CG1-SD 3.57Å; L160-M170 WeakPolarHBondContact O-CE 3.19Å; D163-M170 HydrophobicContact CB-CE 3.95Å; D163-M170 HydrophobicContact CB-SD 4.25Å; H165-M170 HydrophobicContact CB-CG 4.08Å; W168-M170 PolarHBondContact O-N 3.13Å; M170-S172 PolarHBondContact O-N 3.48Å; M170-L173 HydrophobicContact CE-CD1 3.72Å; M170-T176 HydrophobicContact SD-CG2 3.76Å; M170-L219 HydrophobicContact SD-CD2 4.22Å
171A91.3Very high95.3Very high113 Ų11373.5 Ų73.593%0.93441%0.413SS*.SBendtrans-67-19.5179.900000114.4P169P169-A171 PolarHBondContact O-N 3.19Å
172S94.9Very high95.6Very high55 Ų5573.4 Ų73.439%0.38541%0.407SS..  trans-164.6113.3173.2177.90000111.2M170 E174 K175 T176M170-S172 PolarHBondContact O-N 3.48Å; S172-E174 PolarHBondContact O-N 2.88Å; S172-K175 PolarHBondContact O-N 3.47Å; S172-K175 PolarHBondContact OG-N 3.41Å; S172-T176 PolarHBondContact O-N 2.68Å; S172-T176 VanDerWaalsContact O-N 3.07Å; S172-T176 PolarHBondContact O-OG1 3.1Å; S172-T176 VanDerWaalsContact O-OG1 3.12Å
173L95.3Very high95.9Very high25 Ų2573.5 Ų73.513%0.13139%0.386CS..Hα-helixtrans-55.5-49.7177.917968.2000112.2V159 D161 M170 K175 T176 K177V159-L173 HydrophobicContact CG1-CD1 3.84Å; D161-L173 WeakPolarHBondContact OD2-CD2 3.2Å; M170-L173 HydrophobicContact CE-CD1 3.72Å; L173-K175 VanDerWaalsContact C-N 3.32Å; L173-K175 PolarHBondContact O-N 2.87Å; L173-T176 PolarHBondContact O-N 3.36Å; L173-T176 VanDerWaalsContact O-N 3.15Å; L173-K177 HydrophobicContact CD1-CG 4.44Å; L173-K177 VanDerWaalsContact CD2-NZ 3.27Å; L173-K177 HydrophobicContact CG-CD 4.11Å; L173-K177 HydrophobicContact CG-CG 4.4Å; L173-K177 WeakPolarHBondContact O-CG 3.48Å; L173-K177 PolarHBondContact O-N 3.18Å
174E95.6Very high96Very high117 Ų11773.4 Ų73.455%0.54739%0.385SS..Hα-helixtrans-66.5-34-176-59.5-48.4117.100112.4S172 K177 L178S172-E174 PolarHBondContact O-N 2.88Å; E174-K177 IonicContact OE1-NZ 3.27Å; E174-K177 PolarHBondContact OE1-NZ 3.34Å; E174-K177 IonicContact OE2-NZ 3.97Å; E174-L178 WeakPolarHBondContact O-CB 3.32Å; E174-L178 PolarHBondContact O-N 3.07Å
175K95.7Very high96Very high119 Ų11973.8 Ų73.852%0.51739%0.387SS..Hα-helixtrans-66.1-42.4172.8-157.3-164.3-176.1-156.20111S172 L173 L178 Y179S172-K175 PolarHBondContact O-N 3.47Å; S172-K175 PolarHBondContact OG-N 3.41Å; L173-K175 VanDerWaalsContact C-N 3.32Å; L173-K175 PolarHBondContact O-N 2.87Å; K175-L178 PolarHBondContact O-N 3.08Å; K175-Y179 HydrophobicContact CD-CE2 3.84Å; K175-Y179 VanDerWaalsContact CE-OH 3.28Å; K175-Y179 WeakPolarHBondContact CE-OH 3.48Å; K175-Y179 HydrophobicContact CG-CD2 4.23Å; K175-Y179 HydrophobicContact CG-CE2 3.72Å; K175-Y179 PolarHBondContact NZ-OH 3.06Å; K175-Y179 WeakPolarHBondContact O-CD2 3.43Å; K175-Y179 PolarHBondContact O-N 3.39Å; K175-Y179 VanDerWaalsContact O-N 3.11Å
176T96.8Very high96.1Very high13 Ų1373.6 Ų73.68%0.0838%0.384CS..Hα-helixtrans-65.2-43.6176.1-52.20000111.7V159 M170 S172 L173 L178 Y179 M180 L219V159-T176 HydrophobicContact CG1-CG2 3.85Å; V159-T176 HydrophobicContact CG2-CG2 4.27Å; M170-T176 HydrophobicContact SD-CG2 3.76Å; S172-T176 PolarHBondContact O-N 2.68Å; S172-T176 VanDerWaalsContact O-N 3.07Å; S172-T176 PolarHBondContact O-OG1 3.1Å; S172-T176 VanDerWaalsContact O-OG1 3.12Å; L173-T176 PolarHBondContact O-N 3.36Å; L173-T176 VanDerWaalsContact O-N 3.15Å; T176-L178 VanDerWaalsContact C-N 3.31Å; T176-L178 PolarHBondContact O-N 3.35Å; T176-Y179 PolarHBondContact O-N 3.4Å; T176-M180 VanDerWaalsContact O-CB 3.24Å; T176-M180 WeakPolarHBondContact O-CB 3.34Å; T176-M180 PolarHBondContact O-N 3.27Å; T176-L219 HydrophobicContact CG2-CD1 3.64Å; T176-L219 HydrophobicContact CG2-CD2 3.74Å; T176-L219 HydrophobicContact CG2-CG 4.31Å
177K97.1Very high96.3Very high76 Ų7669.1 Ų69.133%0.3336%0.36SS..Hα-helixtrans-56.9-42.8173.5-74.7172.6179.1164.50112.2V159 L173 E174 M180 A181V159-K177 HydrophobicContact CB-CG 4.33Å; L173-K177 HydrophobicContact CD1-CG 4.44Å; L173-K177 VanDerWaalsContact CD2-NZ 3.27Å; L173-K177 HydrophobicContact CG-CD 4.11Å; L173-K177 HydrophobicContact CG-CG 4.4Å; L173-K177 WeakPolarHBondContact O-CG 3.48Å; L173-K177 PolarHBondContact O-N 3.18Å; E174-K177 IonicContact OE1-NZ 3.27Å; E174-K177 PolarHBondContact OE1-NZ 3.34Å; E174-K177 IonicContact OE2-NZ 3.97Å; K177-M180 WeakPolarHBondContact O-CB 3.47Å; K177-M180 PolarHBondContact O-N 2.85Å; K177-A181 PolarHBondContact O-N 3.19Å
178L97.1Very high96.5Very high100 Ų10067 Ų6752%0.52434%0.338SS..Hα-helixtrans-64.7-40.1178.2179.962.2000112.6E174 K175 T176 K182E174-L178 WeakPolarHBondContact O-CB 3.32Å; E174-L178 PolarHBondContact O-N 3.07Å; K175-L178 PolarHBondContact O-N 3.08Å; T176-L178 VanDerWaalsContact C-N 3.31Å; T176-L178 PolarHBondContact O-N 3.35Å; L178-K182 WeakPolarHBondContact O-CG 3.36Å; L178-K182 PolarHBondContact O-N 3.27Å
179Y97.2Very high96.6Very high100 Ų10060.1 Ų60.139%0.39231%0.314SS..Hα-helixtrans-70.9-37.9173.1-69.3-59.4000112.3K175 T176 A181 K182 Y183K175-Y179 HydrophobicContact CD-CE2 3.84Å; K175-Y179 VanDerWaalsContact CE-OH 3.28Å; K175-Y179 WeakPolarHBondContact CE-OH 3.48Å; K175-Y179 HydrophobicContact CG-CD2 4.23Å; K175-Y179 HydrophobicContact CG-CE2 3.72Å; K175-Y179 PolarHBondContact NZ-OH 3.06Å; K175-Y179 WeakPolarHBondContact O-CD2 3.43Å; K175-Y179 PolarHBondContact O-N 3.39Å; K175-Y179 VanDerWaalsContact O-N 3.11Å; T176-Y179 PolarHBondContact O-N 3.4Å; Y179-A181 VanDerWaalsContact C-N 3.35Å; Y179-A181 PolarHBondContact O-N 2.66Å; Y179-K182 PolarHBondContact O-N 3.5Å; Y179-Y183 WeakPolarHBondContact O-CD2 3.48Å; Y179-Y183 PolarHBondContact O-N 3.48Å
180M97.9Very high96.8Very high3 Ų355.7 Ų55.72%0.01529%0.285CS..Hα-helixtrans-58.6-45.3177.5179.974.7-157.300111.4L155 V159 T176 K177 A184 V210 R214 L217L155-M180 HydrophobicContact CD2-CE 3.82Å; L155-M180 HydrophobicContact CD2-CG 3.65Å; V159-M180 HydrophobicContact CG2-CB 3.91Å; V159-M180 HydrophobicContact CG2-CG 3.73Å; V159-M180 HydrophobicContact CG2-SD 4Å; T176-M180 VanDerWaalsContact O-CB 3.24Å; T176-M180 WeakPolarHBondContact O-CB 3.34Å; T176-M180 PolarHBondContact O-N 3.27Å; K177-M180 WeakPolarHBondContact O-CB 3.47Å; K177-M180 PolarHBondContact O-N 2.85Å; M180-A184 VanDerWaalsContact O-CB 3.31Å; M180-A184 WeakPolarHBondContact O-CB 3.38Å; M180-A184 PolarHBondContact O-N 3.06Å; M180-V210 HydrophobicContact CE-CB 3.96Å; M180-V210 HydrophobicContact CE-CG1 3.57Å; M180-V210 HydrophobicContact CE-CG2 4.13Å; M180-V210 WeakPolarHBondContact CE-O 3.21Å; M180-R214 HydrophobicContact CE-CG 4.01Å; M180-R214 HydrophobicContact SD-CG 3.79Å; M180-L217 HydrophobicContact CB-CD1 4.13Å; M180-L217 HydrophobicContact SD-CD1 4.39Å
181A97.8Very high97Very high32 Ų3254.7 Ų54.726%0.26428%0.281SS..Hα-helixtrans-59.6-50.5173.200000111.3L155 K177 Y179 Y183 A184 D185L155-A181 HydrophobicContact CD1-CB 4.44Å; K177-A181 PolarHBondContact O-N 3.19Å; Y179-A181 VanDerWaalsContact C-N 3.35Å; Y179-A181 PolarHBondContact O-N 2.66Å; A181-Y183 VanDerWaalsContact C-N 3.34Å; A181-Y183 PolarHBondContact O-N 3.27Å; A181-A184 WeakPolarHBondContact O-CB 3.37Å; A181-A184 PolarHBondContact O-N 2.83Å; A181-D185 VanDerWaalsContact O-CG 3.27Å; A181-D185 PolarHBondContact O-N 3.01Å
182K97.9Very high97.3Very high121 Ų12150 Ų5053%0.52624%0.24SC..Hα-helixtrans-59.6-38.5-179.8-72.2178.1178.8-170.30114.2L178 Y179 Y186L178-K182 WeakPolarHBondContact O-CG 3.36Å; L178-K182 PolarHBondContact O-N 3.27Å; Y179-K182 PolarHBondContact O-N 3.5Å; K182-Y186 WeakPolarHBondContact O-CB 3.38Å; K182-Y186 PolarHBondContact O-N 2.91Å
183Y98.3Very high97.3Very high74 Ų7449.4 Ų49.429%0.2923%0.231SC..Hα-helixtrans-73.2-34.9174.7-83.9-71.7000112Y179 A181 Y186 F187 S213 I216 L217Y179-Y183 WeakPolarHBondContact O-CD2 3.48Å; Y179-Y183 PolarHBondContact O-N 3.48Å; A181-Y183 VanDerWaalsContact C-N 3.34Å; A181-Y183 PolarHBondContact O-N 3.27Å; Y183-Y186 PolarHBondContact O-N 3.22Å; Y183-F187 HydrophobicContact CD1-CE2 4.33Å; Y183-F187 WeakPolarHBondContact O-CB 3.48Å; Y183-F187 WeakPolarHBondContact O-CD2 3.44Å; Y183-F187 PolarHBondContact O-N 2.87Å; Y183-S213 WeakPolarHBondContact CB-OG 3.47Å; Y183-S213 PolarHBondContact O-OG 2.98Å; Y183-I216 HydrophobicContact CD1-CG2 4.03Å; Y183-I216 HydrophobicContact CE1-CB 4.42Å; Y183-I216 HydrophobicContact CE1-CG2 3.49Å; Y183-I216 VanDerWaalsContact CE1-CG2 3.49Å; Y183-I216 HydrophobicContact CE2-CG2 4.22Å; Y183-L217 HydrophobicContact CD2-CD1 4.08Å; Y183-L217 HydrophobicContact CD2-CD2 3.76Å; Y183-L217 HydrophobicContact CD2-CG 3.86Å; Y183-L217 HydrophobicContact CE2-CD2 3.64Å; Y183-L217 HydrophobicContact CE2-CG 4.17Å
184A98.5Very high97.2Very high0 Ų052 Ų520%025%0.245CC..Hα-helixtrans-66.3-42.9175.100000111.7I151 L155 M180 A181 F187 L188 S213I151-A184 HydrophobicContact CD1-CB 4.15Å; I151-A184 HydrophobicContact CG1-CB 4.07Å; L155-A184 HydrophobicContact CD1-CB 4.08Å; L155-A184 HydrophobicContact CD2-CB 3.89Å; L155-A184 HydrophobicContact CG-CB 4.38Å; M180-A184 VanDerWaalsContact O-CB 3.31Å; M180-A184 WeakPolarHBondContact O-CB 3.38Å; M180-A184 PolarHBondContact O-N 3.06Å; A181-A184 WeakPolarHBondContact O-CB 3.37Å; A181-A184 PolarHBondContact O-N 2.83Å; A184-F187 PolarHBondContact O-N 3.02Å; A184-L188 WeakPolarHBondContact O-CB 3.42Å; A184-L188 WeakPolarHBondContact O-CG 3.39Å; A184-L188 PolarHBondContact O-N 3.28Å; A184-S213 WeakPolarHBondContact CA-OG 3.43Å; A184-S213 PolarHBondContact N-OG 2.99Å
185D97.8Very high97.2Very high69 Ų6949 Ų4937%0.36923%0.231SC..Hα-helixtrans-58.8-49172-65.6-29.7000110.9A181 F187 L188 E189A181-D185 VanDerWaalsContact O-CG 3.27Å; A181-D185 PolarHBondContact O-N 3.01Å; D185-F187 PolarHBondContact O-N 3.39Å; D185-L188 WeakPolarHBondContact O-CB 3.42Å; D185-L188 PolarHBondContact O-N 3.39Å; D185-E189 WeakPolarHBondContact O-CG 3.5Å; D185-E189 PolarHBondContact O-N 3.42Å
186Y97.8Very high97.2Very high67 Ų6746 Ų4626%0.26322%0.22SC..Hα-helixtrans-58.5-46.2175.9166.5-100.4000112K182 Y183 L188 E189 V190 H249 D252K182-Y186 WeakPolarHBondContact O-CB 3.38Å; K182-Y186 PolarHBondContact O-N 2.91Å; Y183-Y186 PolarHBondContact O-N 3.22Å; Y186-L188 VanDerWaalsContact C-N 3.28Å; Y186-L188 PolarHBondContact O-N 3.07Å; Y186-E189 PolarHBondContact O-N 3.45Å; Y186-V190 HydrophobicContact CD1-CG2 4.32Å; Y186-V190 HydrophobicContact CD2-CG2 4.24Å; Y186-V190 HydrophobicContact CE1-CG2 3.76Å; Y186-V190 HydrophobicContact CE2-CG2 3.67Å; Y186-V190 WeakPolarHBondContact O-CG2 3.48Å; Y186-V190 PolarHBondContact O-N 2.88Å; Y186-H249 HydrophobicContact CE1-CB 4.11Å; Y186-H249 AromaticContact CE1-CD2 3.81Å; Y186-H249 WeakPolarHBondContact OH-CA 3.35Å; Y186-D252 PolarHBondContact OH-OD2 3.32Å
187F98.6Very high97.2Very high0 Ų046 Ų460%022%0.219CC..Hα-helixtrans-69.9-23.6178.4-76.5-56.2000113.5Y183 A184 D185 S191 C209 A212 I216 L245 L246 H249Y183-F187 HydrophobicContact CD1-CE2 4.33Å; Y183-F187 WeakPolarHBondContact O-CB 3.48Å; Y183-F187 WeakPolarHBondContact O-CD2 3.44Å; Y183-F187 PolarHBondContact O-N 2.87Å; A184-F187 PolarHBondContact O-N 3.02Å; D185-F187 PolarHBondContact O-N 3.39Å; F187-S191 WeakPolarHBondContact O-CB 3.43Å; F187-S191 PolarHBondContact O-N 3.04Å; F187-C209 HydrophobicContact CB-CB 3.8Å; F187-C209 PolarHBondContact O-SG 3.27Å; F187-A212 HydrophobicContact CD1-CB 4.34Å; F187-A212 HydrophobicContact CD2-CB 3.79Å; F187-A212 HydrophobicContact CE1-CB 4.15Å; F187-A212 HydrophobicContact CE2-CB 3.6Å; F187-A212 HydrophobicContact CG-CB 4.18Å; F187-A212 HydrophobicContact CZ-CB 3.79Å; F187-I216 HydrophobicContact CE2-CG1 4.09Å; F187-I216 HydrophobicContact CZ-CG1 3.9Å; F187-L245 HydrophobicContact CB-CD1 4.43Å; F187-L245 HydrophobicContact CB-CD2 4.45Å; F187-L245 HydrophobicContact CD1-CB 3.72Å; F187-L245 HydrophobicContact CD1-CD2 4.29Å; F187-L245 HydrophobicContact CD1-CG 4.42Å; F187-L245 HydrophobicContact CE1-CB 4.01Å; F187-L245 WeakPolarHBondContact CE1-O 3.48Å; F187-L245 WeakPolarHBondContact O-CD2 3.4Å; F187-L246 HydrophobicContact CZ-CD2 4.13Å; F187-H249 HydrophobicContact CE1-CB 3.83Å; F187-H249 HydrophobicContact CZ-CB 4.19Å
188L98Very high97.2Very high1 Ų144.8 Ų44.81%0.00522%0.216CC..Hα-helixtrans-67.6-47.9167.8-82.3180000111.2H62 A147 A148 I151 A184 D185 Y186 V190 S191 L192H62-L188 PolarHBondContact CE1-O 2.81Å; A147-L188 HydrophobicContact CB-CD2 3.47Å; A147-L188 VanDerWaalsContact CB-CD2 3.47Å; A148-L188 HydrophobicContact CB-CD1 4.44Å; I151-L188 HydrophobicContact CB-CD1 3.82Å; I151-L188 HydrophobicContact CD1-CD1 4.27Å; I151-L188 HydrophobicContact CD1-CD2 4.37Å; I151-L188 HydrophobicContact CD1-CG 4.22Å; I151-L188 HydrophobicContact CG1-CD1 3.78Å; I151-L188 HydrophobicContact CG1-CG 4.27Å; I151-L188 HydrophobicContact CG2-CD1 3.74Å; A184-L188 WeakPolarHBondContact O-CB 3.42Å; A184-L188 WeakPolarHBondContact O-CG 3.39Å; A184-L188 PolarHBondContact O-N 3.28Å; D185-L188 WeakPolarHBondContact O-CB 3.42Å; D185-L188 PolarHBondContact O-N 3.39Å; Y186-L188 VanDerWaalsContact C-N 3.28Å; Y186-L188 PolarHBondContact O-N 3.07Å; L188-V190 VanDerWaalsContact C-N 3.33Å; L188-V190 PolarHBondContact O-N 3.4Å; L188-S191 WeakPolarHBondContact O-CA 2.98Å; L188-S191 WeakPolarHBondContact O-CB 3.39Å; L188-S191 PolarHBondContact O-N 3.49Å; L188-S191 PolarHBondContact O-OG 2.87Å; L188-L192 PolarHBondContact O-N 3.37Å
189E97.2Very high97.1Very high47 Ų4744.6 Ų44.622%0.2222%0.222CC..Hα-helixtrans-60.6-41.4175.2-62.6-60.9125.900111.7R61 D185 Y186 S191 L192R61-E189 VanDerWaalsContact CD-CD 3.49Å; R61-E189 WeakPolarHBondContact CD-OE1 3.49Å; R61-E189 WeakPolarHBondContact CD-OE2 3.45Å; R61-E189 IonicContact CZ-OE1 2.73Å; R61-E189 VanDerWaalsContact CZ-OE1 3.26Å; R61-E189 IonicContact CZ-OE2 2.95Å; R61-E189 IonicContact NE-OE1 3.52Å; R61-E189 PolarHBondContact NE-OE1 2.86Å; R61-E189 IonicContact NE-OE2 3.73Å; R61-E189 PolarHBondContact NE-OE2 2.86Å; R61-E189 IonicContact NH1-OE1 3.95Å; R61-E189 PolarHBondContact NH1-OE1 3.32Å; R61-E189 IonicContact NH1-OE2 3.93Å; D185-E189 WeakPolarHBondContact O-CG 3.5Å; D185-E189 PolarHBondContact O-N 3.42Å; Y186-E189 PolarHBondContact O-N 3.45Å; E189-S191 VanDerWaalsContact C-N 3.29Å; E189-S191 PolarHBondContact O-N 3.36Å; E189-L192 WeakPolarHBondContact O-CB 3.33Å; E189-L192 PolarHBondContact O-N 2.96Å; E189-L192 VanDerWaalsContact O-N 3.09Å
190V97.4Very high97.1Very high9 Ų941.9 Ų41.96%0.05521%0.212CC..Hα-helixtrans-59.6-38.7172171.70000111.5Y186 L188 L192 Q193 L245 A248Y186-V190 HydrophobicContact CD1-CG2 4.32Å; Y186-V190 HydrophobicContact CD2-CG2 4.24Å; Y186-V190 HydrophobicContact CE1-CG2 3.76Å; Y186-V190 HydrophobicContact CE2-CG2 3.67Å; Y186-V190 WeakPolarHBondContact O-CG2 3.48Å; Y186-V190 PolarHBondContact O-N 2.88Å; L188-V190 VanDerWaalsContact C-N 3.33Å; L188-V190 PolarHBondContact O-N 3.4Å; V190-L192 PolarHBondContact O-N 3.29Å; V190-Q193 WeakPolarHBondContact O-CB 3.2Å; V190-Q193 PolarHBondContact O-N 3.09Å; V190-L245 HydrophobicContact CB-CD2 4.33Å; V190-L245 HydrophobicContact CG1-CD2 3.93Å; V190-A248 HydrophobicContact CG1-CB 3.57Å
191S98.1Very high97.1Very high8 Ų843.4 Ų43.46%0.05623%0.225CC..Hα-helixtrans-65-18.2177.380.70000113.8F187 L188 E189 F197F187-S191 WeakPolarHBondContact O-CB 3.43Å; F187-S191 PolarHBondContact O-N 3.04Å; L188-S191 WeakPolarHBondContact O-CA 2.98Å; L188-S191 WeakPolarHBondContact O-CB 3.39Å; L188-S191 PolarHBondContact O-N 3.49Å; L188-S191 PolarHBondContact O-OG 2.87Å; E189-S191 VanDerWaalsContact C-N 3.29Å; E189-S191 PolarHBondContact O-N 3.36Å; S191-F197 WeakPolarHBondContact O-CB 3.42Å; S191-F197 WeakPolarHBondContact O-CD2 3.4Å
192L97.6Very high97.1Very high15 Ų1543 Ų438%0.07922%0.22CC..Hα-helixtrans-83.7-18.8173.1-64.5-177.5000113.6R40 R61 H62 V65 L188 E189 V190 D194R40-L192 VanDerWaalsContact CZ-O 3.31Å; R40-L192 PolarHBondContact NH1-O 3.02Å; R40-L192 PolarHBondContact NH2-O 3.01Å; R61-L192 HydrophobicContact CG-CD1 3.91Å; H62-L192 HydrophobicContact CB-CD2 4.3Å; H62-L192 WeakPolarHBondContact ND1-CD2 3.15Å; V65-L192 HydrophobicContact CB-CD2 4.09Å; V65-L192 HydrophobicContact CG1-CD2 4.13Å; V65-L192 HydrophobicContact CG2-CD1 4.24Å; V65-L192 HydrophobicContact CG2-CD2 4.47Å; L188-L192 PolarHBondContact O-N 3.37Å; E189-L192 WeakPolarHBondContact O-CB 3.33Å; E189-L192 PolarHBondContact O-N 2.96Å; E189-L192 VanDerWaalsContact O-N 3.09Å; V190-L192 PolarHBondContact O-N 3.29Å; L192-D194 PolarHBondContact O-N 3.41Å
193Q94.6Very high97.1Very high42 Ų4237.2 Ų37.220%0.19620%0.195CC..Hα-helixtrans-73.1-28.6-172.5-67.9-73.9-48.200113.7R40 D45 V190R40-Q193 VanDerWaalsContact NH1-C 3.31Å; R40-Q193 PolarHBondContact NH1-O 3.47Å; D45-Q193 PolarHBondContact OD1-NE2 3.33Å; D45-Q193 PolarHBondContact OD1-OE1 2.76Å; V190-Q193 WeakPolarHBondContact O-CB 3.2Å; V190-Q193 PolarHBondContact O-N 3.09Å
194D94.4Very high97.1Very high78 Ų7834.7 Ų34.742%0.41719%0.186SC..  trans-125.8135.4-178.9-170.5-24.6000110.6L192 I196 F197L192-D194 PolarHBondContact O-N 3.41Å; D194-I196 HydrophobicContact CB-CG2 3.95Å; D194-I196 PolarHBondContact O-N 3.04Å; D194-I196 WeakPolarHBondContact OD1-CB 3.36Å; D194-I196 WeakPolarHBondContact OD1-CG2 3.32Å; D194-I196 PolarHBondContact OD1-N 3.34Å; D194-F197 HydrophobicContact CB-CD2 4.28Å; D194-F197 HydrophobicContact CB-CE2 4.27Å; D194-F197 WeakPolarHBondContact O-CD2 3.44Å
195H95.6Very high97.2Very high55 Ų5535 Ų3526%0.25519%0.188SC..G310 helixtrans-71.7-10.9178.570.382.1000113.4Y30 F197 L198Y30-H195 HydrophobicContact CE1-CB 4.04Å; Y30-H195 AromaticContact CE1-ND1 3.8Å; Y30-H195 VanDerWaalsContact OH-CB 3.29Å; Y30-H195 WeakPolarHBondContact OH-CB 3.43Å; H195-F197 PolarHBondContact O-N 2.88Å; H195-F197 VanDerWaalsContact O-N 3.13Å; H195-L198 HydrophobicContact CB-CD1 4.5Å; H195-L198 WeakPolarHBondContact O-CB 3.29Å; H195-L198 PolarHBondContact O-N 3.29Å
196I95.5Very high97.2Very high55 Ų5531.7 Ų31.728%0.28217%0.17SC..G310 helixtrans-57.3-25.1175.2-163.359.8000112.7D194 L198 C199 K244D194-I196 HydrophobicContact CB-CG2 3.95Å; D194-I196 PolarHBondContact O-N 3.04Å; D194-I196 WeakPolarHBondContact OD1-CB 3.36Å; D194-I196 WeakPolarHBondContact OD1-CG2 3.32Å; D194-I196 PolarHBondContact OD1-N 3.34Å; I196-L198 VanDerWaalsContact C-N 3.25Å; I196-L198 PolarHBondContact O-N 2.96Å; I196-C199 WeakPolarHBondContact O-CB 3.22Å; I196-C199 PolarHBondContact O-N 3.43Å; I196-K244 HydrophobicContact CG1-CD 4.1Å; I196-K244 HydrophobicContact CG2-CD 4.1Å
197F97.2Very high97.3Very high13 Ų1328.5 Ų28.56%0.05716%0.158CC..G310 helixtrans-70.4-20.1176.5-67.3-70.8000113.2S191 D194 H195 C199 F200 K244 L245S191-F197 WeakPolarHBondContact O-CB 3.42Å; S191-F197 WeakPolarHBondContact O-CD2 3.4Å; D194-F197 HydrophobicContact CB-CD2 4.28Å; D194-F197 HydrophobicContact CB-CE2 4.27Å; D194-F197 WeakPolarHBondContact O-CD2 3.44Å; H195-F197 PolarHBondContact O-N 2.88Å; H195-F197 VanDerWaalsContact O-N 3.13Å; F197-C199 PolarHBondContact O-N 3.43Å; F197-F200 PolarHBondContact O-N 3.2Å; F197-K244 HydrophobicContact CE1-CB 3.91Å; F197-K244 HydrophobicContact CZ-CB 3.74Å; F197-L245 HydrophobicContact CE1-CD2 3.7Å; F197-L245 HydrophobicContact CE1-CG 3.8Å; F197-L245 HydrophobicContact CE2-CD2 4.33Å; F197-L245 HydrophobicContact CZ-CD2 3.57Å; F197-L245 HydrophobicContact CZ-CG 3.96Å
198L95.8Very high97.3Very high52 Ų5228.5 Ų28.527%0.27216%0.158SC..G310 helixtrans-72-11.2172.4-56.9-176.8000113.3Y30 Y66 D69 H195 I196 F200Y30-L198 HydrophobicContact CD1-CB 3.8Å; Y30-L198 HydrophobicContact CD1-CD1 3.8Å; Y30-L198 HydrophobicContact CD1-CG 4.45Å; Y30-L198 HydrophobicContact CD2-CD1 3.92Å; Y30-L198 HydrophobicContact CE1-CB 4.22Å; Y30-L198 HydrophobicContact CE1-CD1 3.79Å; Y30-L198 HydrophobicContact CE2-CD1 3.9Å; Y30-L198 HydrophobicContact CG-CB 4.3Å; Y30-L198 HydrophobicContact CG-CD1 3.85Å; Y66-L198 HydrophobicContact CD2-CD2 3.72Å; Y66-L198 HydrophobicContact CE2-CD2 4.02Å; D69-L198 HydrophobicContact CB-CD1 3.77Å; H195-L198 HydrophobicContact CB-CD1 4.5Å; H195-L198 WeakPolarHBondContact O-CB 3.29Å; H195-L198 PolarHBondContact O-N 3.29Å; I196-L198 VanDerWaalsContact C-N 3.25Å; I196-L198 PolarHBondContact O-N 2.96Å; L198-F200 PolarHBondContact O-N 3.48Å
199C94.7Very high97.3Very high95 Ų9528.5 Ų28.564%0.64216%0.158SC*.G310 helixtrans-78.3-5.1171.2-59.30000113.2I196 F197I196-C199 WeakPolarHBondContact O-CB 3.22Å; I196-C199 PolarHBondContact O-N 3.43Å; F197-C199 PolarHBondContact O-N 3.43Å
200F97.2Very high97.4Very high43 Ų4326.2 Ų26.219%0.18915%0.147CC..SBendtrans-112.5153.9177.9-60.2-90.3000110.8F197 L198 L204 V205 P240 C241 K244F197-F200 PolarHBondContact O-N 3.2Å; L198-F200 PolarHBondContact O-N 3.48Å; F200-L204 HydrophobicContact CB-CD2 4.41Å; F200-L204 HydrophobicContact CD1-CD1 4.46Å; F200-L204 HydrophobicContact CD1-CD2 3.91Å; F200-L204 HydrophobicContact CG-CD2 4.47Å; F200-V205 HydrophobicContact CB-CG2 3.73Å; F200-P240 HydrophobicContact CE1-CB 4.29Å; F200-P240 HydrophobicContact CZ-CB 4.46Å; F200-C241 HydrophobicContact CD1-CB 3.95Å; F200-C241 HydrophobicContact CD2-CB 4.46Å; F200-C241 HydrophobicContact CE1-CB 3.79Å; F200-C241 HydrophobicContact CE2-CB 4.33Å; F200-C241 HydrophobicContact CG-CB 4.28Å; F200-C241 HydrophobicContact CZ-CB 3.98Å; F200-K244 HydrophobicContact CE2-CD 4.25Å; F200-K244 HydrophobicContact CZ-CD 4.44Å
201A97.9Very high97.4Very high36 Ų3625.8 Ų25.830%0.29815%0.145SC..  trans-62.7138.2170.800000110S203 L204 V205A201-S203 PolarHBondContact O-N 2.91Å; A201-L204 HydrophobicContact CB-CB 4.18Å; A201-L204 WeakPolarHBondContact O-CA 3.46Å; A201-L204 VanDerWaalsContact O-CB 3.26Å; A201-L204 WeakPolarHBondContact O-CB 3.39Å; A201-L204 PolarHBondContact O-N 2.73Å; A201-V205 PolarHBondContact O-N 2.94Å
202P98.6Very high97.5Very high23 Ų2325.4 Ų25.415%0.14914%0.142CC..Hα-helixtrans-59.8-32.8-178.2-24.534.2000113.5L27 P145 F150 L204 V205 A206L27-P202 HydrophobicContact CD1-CG 3.65Å; P145-P202 WeakPolarHBondContact O-CG 3.37Å; F150-P202 HydrophobicContact CD2-CB 4.36Å; F150-P202 HydrophobicContact CE2-CB 4.15Å; P202-L204 VanDerWaalsContact C-N 3.27Å; P202-L204 PolarHBondContact O-N 3.23Å; P202-V205 PolarHBondContact O-N 2.98Å; P202-A206 PolarHBondContact O-N 2.79Å
203S98.7Very high97.5Very high0 Ų024.7 Ų24.70%014%0.138CC..Hα-helixtrans-69.1-20.9172.869.60000114.1R21 E24 Y154 A201 A207 Y233R21-S203 VanDerWaalsContact CZ-OG 3.3Å; R21-S203 PolarHBondContact NE-OG 2.78Å; R21-S203 VanDerWaalsContact NE-OG 3.1Å; R21-S203 PolarHBondContact NH2-OG 3.34Å; E24-S203 PolarHBondContact OE1-OG 3.25Å; E24-S203 WeakPolarHBondContact OE2-CB 3.26Å; E24-S203 PolarHBondContact OE2-N 3Å; E24-S203 PolarHBondContact OE2-OG 3.16Å; Y154-S203 VanDerWaalsContact CE2-O 3.28Å; Y154-S203 WeakPolarHBondContact CE2-O 3.4Å; Y154-S203 WeakPolarHBondContact OH-CB 3.33Å; Y154-S203 PolarHBondContact OH-O 3.35Å; A201-S203 PolarHBondContact O-N 2.91Å; S203-A207 WeakPolarHBondContact O-CB 3.19Å; S203-A207 PolarHBondContact O-N 3.25Å; S203-Y233 PolarHBondContact OG-OH 3.3Å
204L98.8Very high97.7Very high21 Ų2122.7 Ų22.711%0.1113%0.129CC..Hα-helixtrans-81.5-44.6171.9-166.6163000110.1F200 A201 P202 A206 A207 A208 Y233 L238 C241F200-L204 HydrophobicContact CB-CD2 4.41Å; F200-L204 HydrophobicContact CD1-CD1 4.46Å; F200-L204 HydrophobicContact CD1-CD2 3.91Å; F200-L204 HydrophobicContact CG-CD2 4.47Å; A201-L204 HydrophobicContact CB-CB 4.18Å; A201-L204 WeakPolarHBondContact O-CA 3.46Å; A201-L204 VanDerWaalsContact O-CB 3.26Å; A201-L204 WeakPolarHBondContact O-CB 3.39Å; A201-L204 PolarHBondContact O-N 2.73Å; P202-L204 VanDerWaalsContact C-N 3.27Å; P202-L204 PolarHBondContact O-N 3.23Å; L204-A206 VanDerWaalsContact C-N 3.34Å; L204-A206 PolarHBondContact O-N 3.31Å; L204-A207 CarbonylContact O-C 3.6Å; L204-A207 WeakPolarHBondContact O-CB 3.39Å; L204-A207 PolarHBondContact O-N 2.9Å; L204-A207 VanDerWaalsContact O-N 3.11Å; L204-A208 WeakPolarHBondContact O-CB 3.48Å; L204-A208 PolarHBondContact O-N 3.36Å; L204-Y233 HydrophobicContact CB-CE1 4.33Å; L204-Y233 HydrophobicContact CB-CE2 3.89Å; L204-Y233 HydrophobicContact CD1-CD1 4.44Å; L204-Y233 HydrophobicContact CD1-CE1 3.95Å; L204-Y233 HydrophobicContact CG-CE1 4.21Å; L204-Y233 HydrophobicContact CG-CE2 4.35Å; L204-L238 HydrophobicContact CD2-CD2 4.18Å; L204-L238 HydrophobicContact CG-CD2 4.1Å; L204-C241 HydrophobicContact CD2-CB 3.7Å
205V98.8Very high97.9Very high6 Ų621.6 Ų21.64%0.03612%0.122CC..Hα-helixtrans-55.8-49.3175.3179.20000110.4A147 F200 A201 P202 A207 A208 C209A147-V205 HydrophobicContact CB-CB 3.99Å; A147-V205 HydrophobicContact CB-CG1 3.83Å; F200-V205 HydrophobicContact CB-CG2 3.73Å; A201-V205 PolarHBondContact O-N 2.94Å; P202-V205 PolarHBondContact O-N 2.98Å; V205-A207 VanDerWaalsContact C-N 3.32Å; V205-A207 PolarHBondContact O-N 2.84Å; V205-A208 CarbonylContact O-C 3.58Å; V205-A208 WeakPolarHBondContact O-CA 3.46Å; V205-A208 WeakPolarHBondContact O-CB 3.25Å; V205-A208 PolarHBondContact O-N 2.9Å; V205-C209 PolarHBondContact O-N 3.25Å; V205-C209 PolarHBondContact O-SG 3.03Å
206A98.8Very high98Very high0 Ų020.8 Ų20.80%012%0.12CC..Hα-helixtrans-60.4-38.8176.500000113.3A147 F150 I151 Y154 P202 L204 A208 C209 V210A147-A206 HydrophobicContact CB-CB 4.22Å; A147-A206 WeakPolarHBondContact O-CB 3.41Å; F150-A206 HydrophobicContact CB-CB 3.7Å; I151-A206 HydrophobicContact CD1-CB 4.07Å; I151-A206 WeakPolarHBondContact CD1-O 3.47Å; Y154-A206 HydrophobicContact CD2-CB 4Å; Y154-A206 HydrophobicContact CE2-CB 3.81Å; P202-A206 PolarHBondContact O-N 2.79Å; L204-A206 VanDerWaalsContact C-N 3.34Å; L204-A206 PolarHBondContact O-N 3.31Å; A206-A208 VanDerWaalsContact C-N 3.33Å; A206-C209 PolarHBondContact O-N 3.19Å; A206-V210 WeakPolarHBondContact O-CG2 3.39Å; A206-V210 PolarHBondContact O-N 3.42Å; A206-V210 VanDerWaalsContact O-N 3.13Å
207A98.8Very high98Very high0 Ų019 Ų190%011%0.11CC..Hα-helixtrans-67.8-33.9174.900000112Y154 S203 L204 V205 V210 A211 W223 T231 Y233 L238Y154-A207 HydrophobicContact CD2-CB 4.23Å; Y154-A207 HydrophobicContact CE2-CB 3.85Å; S203-A207 WeakPolarHBondContact O-CB 3.19Å; S203-A207 PolarHBondContact O-N 3.25Å; L204-A207 CarbonylContact O-C 3.6Å; L204-A207 WeakPolarHBondContact O-CB 3.39Å; L204-A207 PolarHBondContact O-N 2.9Å; L204-A207 VanDerWaalsContact O-N 3.11Å; V205-A207 VanDerWaalsContact C-N 3.32Å; V205-A207 PolarHBondContact O-N 2.84Å; A207-V210 PolarHBondContact O-N 3.41Å; A207-A211 WeakPolarHBondContact O-CB 3.43Å; A207-A211 PolarHBondContact O-N 2.94Å; A207-W223 HydrophobicContact CB-CH2 3.87Å; A207-W223 HydrophobicContact CB-CZ2 4.4Å; A207-W223 WeakPolarHBondContact O-CZ3 3.49Å; A207-T231 HydrophobicContact CB-CG2 4.4Å; A207-Y233 HydrophobicContact CB-CD2 4.16Å; A207-L238 HydrophobicContact CB-CD1 4.31Å; A207-L238 HydrophobicContact CB-CD2 3.62Å
208A98.8Very high98Very high0 Ų023.9 Ų23.90%013%0.133CC..Hα-helixtrans-71-36.9174.100000112.5L204 V205 A206 V210 A211 A212 C241 A242 L245L204-A208 WeakPolarHBondContact O-CB 3.48Å; L204-A208 PolarHBondContact O-N 3.36Å; V205-A208 CarbonylContact O-C 3.58Å; V205-A208 WeakPolarHBondContact O-CA 3.46Å; V205-A208 WeakPolarHBondContact O-CB 3.25Å; V205-A208 PolarHBondContact O-N 2.9Å; A206-A208 VanDerWaalsContact C-N 3.33Å; A208-V210 VanDerWaalsContact C-N 3.32Å; A208-V210 PolarHBondContact O-N 3.32Å; A208-A211 PolarHBondContact O-N 3.37Å; A208-A212 WeakPolarHBondContact O-CB 3.5Å; A208-A212 PolarHBondContact O-N 3.49Å; A208-C241 HydrophobicContact CB-CB 3.73Å; A208-A242 HydrophobicContact CB-CB 4.29Å; A208-L245 HydrophobicContact CB-CD1 3.98Å
209C98.8Very high98.1Very high0 Ų021.5 Ų21.50%012%0.121CC..Hα-helixtrans-59.4-43.3170.4-59.60000111I151 F187 V205 A206 S213 L245I151-C209 HydrophobicContact CD1-CB 3.89Å; F187-C209 HydrophobicContact CB-CB 3.8Å; F187-C209 PolarHBondContact O-SG 3.27Å; V205-C209 PolarHBondContact O-N 3.25Å; V205-C209 PolarHBondContact O-SG 3.03Å; A206-C209 PolarHBondContact O-N 3.19Å; C209-S213 WeakPolarHBondContact O-CB 3.47Å; C209-S213 PolarHBondContact O-N 2.77Å; C209-S213 PolarHBondContact O-OG 3.05Å; C209-L245 HydrophobicContact CB-CD1 4.5Å
210V98.8Very high98.2Very high0 Ų018.9 Ų18.90%010%0.104CC..Hα-helixtrans-63.9-45.6173.5169.10000111.4I151 L155 M180 A206 A207 A208 S213 R214 W223 L227I151-V210 HydrophobicContact CD1-CG2 3.96Å; L155-V210 HydrophobicContact CD2-CG2 4.38Å; M180-V210 HydrophobicContact CE-CB 3.96Å; M180-V210 HydrophobicContact CE-CG1 3.57Å; M180-V210 HydrophobicContact CE-CG2 4.13Å; M180-V210 WeakPolarHBondContact CE-O 3.21Å; A206-V210 WeakPolarHBondContact O-CG2 3.39Å; A206-V210 PolarHBondContact O-N 3.42Å; A206-V210 VanDerWaalsContact O-N 3.13Å; A207-V210 PolarHBondContact O-N 3.41Å; A208-V210 VanDerWaalsContact C-N 3.32Å; A208-V210 PolarHBondContact O-N 3.32Å; V210-S213 PolarHBondContact O-N 3.27Å; V210-R214 PolarHBondContact O-N 3.04Å; V210-W223 HydrophobicContact CB-CZ3 4.27Å; V210-W223 HydrophobicContact CG1-CH2 4.46Å; V210-W223 HydrophobicContact CG1-CZ3 3.79Å; V210-L227 HydrophobicContact CG1-CD1 3.89Å; V210-L227 HydrophobicContact CG1-CD2 4.24Å
211A98.7Very high98.2Very high0 Ų020.3 Ų20.30%012%0.117CC..Hα-helixtrans-62.5-45.4178.400000112.8A207 A208 R214 L215 W223 W235 L238A207-A211 WeakPolarHBondContact O-CB 3.43Å; A207-A211 PolarHBondContact O-N 2.94Å; A208-A211 PolarHBondContact O-N 3.37Å; A211-R214 PolarHBondContact O-N 3.41Å; A211-L215 PolarHBondContact O-N 2.66Å; A211-L215 VanDerWaalsContact O-N 3.09Å; A211-W223 HydrophobicContact CB-CE3 3.98Å; A211-W223 HydrophobicContact CB-CZ3 4.14Å; A211-W235 HydrophobicContact CB-CZ3 4.05Å; A211-L238 HydrophobicContact CB-CD1 4.15Å
212A98.6Very high98Very high0 Ų020.7 Ų20.70%012%0.118CC..Hα-helixtrans-63.2-41.8176.100000111.6F187 A208 R214 L215 I216 L245 L246F187-A212 HydrophobicContact CD1-CB 4.34Å; F187-A212 HydrophobicContact CD2-CB 3.79Å; F187-A212 HydrophobicContact CE1-CB 4.15Å; F187-A212 HydrophobicContact CE2-CB 3.6Å; F187-A212 HydrophobicContact CG-CB 4.18Å; F187-A212 HydrophobicContact CZ-CB 3.79Å; A208-A212 WeakPolarHBondContact O-CB 3.5Å; A208-A212 PolarHBondContact O-N 3.49Å; A212-R214 PolarHBondContact O-N 3.44Å; A212-L215 PolarHBondContact O-N 3.06Å; A212-I216 WeakPolarHBondContact O-CG1 3.33Å; A212-I216 PolarHBondContact O-N 3.5Å; A212-L245 HydrophobicContact CB-CB 4.35Å; A212-L245 HydrophobicContact CB-CD1 4.49Å; A212-L246 HydrophobicContact CB-CD2 4.04Å; A212-L246 HydrophobicContact CB-CG 4.11Å
213S98.6Very high98Very high0 Ų020.8 Ų20.80%012%0.115CC..Hα-helixtrans-58.4-44.1174.5-58.20000112.3Y183 A184 C209 V210 L215 I216 L217Y183-S213 WeakPolarHBondContact CB-OG 3.47Å; Y183-S213 PolarHBondContact O-OG 2.98Å; A184-S213 WeakPolarHBondContact CA-OG 3.43Å; A184-S213 PolarHBondContact N-OG 2.99Å; C209-S213 WeakPolarHBondContact O-CB 3.47Å; C209-S213 PolarHBondContact O-N 2.77Å; C209-S213 PolarHBondContact O-OG 3.05Å; V210-S213 PolarHBondContact O-N 3.27Å; S213-L215 VanDerWaalsContact C-N 3.35Å; S213-L215 PolarHBondContact O-N 3.34Å; S213-I216 PolarHBondContact O-N 3.3Å; S213-L217 WeakPolarHBondContact O-CB 3.32Å; S213-L217 WeakPolarHBondContact O-CG 3.44Å; S213-L217 PolarHBondContact O-N 3.33Å
214R98.3Very high97.9Very high0 Ų021 Ų210%012%0.117CC..Hα-helixtrans-65.3-35.6176.6-71.6-173.963.785.14.1112.6G158 D163 M180 V210 A211 A212 H218 L219 P221 S222G158-R214 PolarHBondContact O-NH1 3.02Å; D163-R214 IonicContact OD1-NH1 3.81Å; D163-R214 IonicContact OD1-NH2 3.69Å; D163-R214 PolarHBondContact OD1-NH2 2.87Å; D163-R214 IonicContact OD2-CZ 3.65Å; D163-R214 IonicContact OD2-NH1 3.4Å; D163-R214 PolarHBondContact OD2-NH1 2.83Å; D163-R214 IonicContact OD2-NH2 2.67Å; D163-R214 PolarHBondContact OD2-NH2 2.98Å; M180-R214 HydrophobicContact CE-CG 4.01Å; M180-R214 HydrophobicContact SD-CG 3.79Å; V210-R214 PolarHBondContact O-N 3.04Å; A211-R214 PolarHBondContact O-N 3.41Å; A212-R214 PolarHBondContact O-N 3.44Å; R214-H218 PolarHBondContact O-N 3.04Å; R214-L219 HydrophobicContact CB-CB 4.25Å; R214-L219 HydrophobicContact CG-CB 4.46Å; R214-L219 HydrophobicContact CG-CD1 4.31Å; R214-L219 PolarHBondContact O-N 3.18Å; R214-P221 PolarHBondContact NE-O 2.67Å; R214-P221 PolarHBondContact NH2-O 2.83Å; R214-S222 WeakPolarHBondContact CD-O 3.47Å; R214-S222 PolarHBondContact NE-O 3.36Å
215L98.1Very high97.9Very high54 Ų5423 Ų2328%0.28314%0.137SC..Hα-helixtrans-67-47.1175.3-74.8175.8000112.6A211 A212 S213 L217 H218 W235 L246A211-L215 PolarHBondContact O-N 2.66Å; A211-L215 VanDerWaalsContact O-N 3.09Å; A212-L215 PolarHBondContact O-N 3.06Å; S213-L215 VanDerWaalsContact C-N 3.35Å; S213-L215 PolarHBondContact O-N 3.34Å; L215-L217 VanDerWaalsContact C-N 3.29Å; L215-L217 PolarHBondContact O-N 3.42Å; L215-H218 PolarHBondContact O-N 3.5Å; L215-H218 VanDerWaalsContact O-N 3.07Å; L215-H218 PolarHBondContact O-ND1 2.79Å; L215-W235 HydrophobicContact CD1-CH2 3.83Å; L215-W235 HydrophobicContact CD1-CZ2 4.4Å; L215-W235 HydrophobicContact CD2-CH2 4.31Å; L215-W235 HydrophobicContact CG-CH2 4.2Å; L215-L246 HydrophobicContact CD1-CD1 3.66Å
216I97.6Very high97.8Very high39 Ų3925.5 Ų25.520%0.215%0.145CC..Hα-helixtrans-65.4-33178.2-63-58.8000111.7Y183 F187 A212 S213 H218 L246Y183-I216 HydrophobicContact CD1-CG2 4.03Å; Y183-I216 HydrophobicContact CE1-CB 4.42Å; Y183-I216 HydrophobicContact CE1-CG2 3.49Å; Y183-I216 VanDerWaalsContact CE1-CG2 3.49Å; Y183-I216 HydrophobicContact CE2-CG2 4.22Å; F187-I216 HydrophobicContact CE2-CG1 4.09Å; F187-I216 HydrophobicContact CZ-CG1 3.9Å; A212-I216 WeakPolarHBondContact O-CG1 3.33Å; A212-I216 PolarHBondContact O-N 3.5Å; S213-I216 PolarHBondContact O-N 3.3Å; I216-H218 VanDerWaalsContact C-N 3.26Å; I216-H218 PolarHBondContact O-N 2.89Å; I216-L246 HydrophobicContact CD1-CD2 3.67Å; I216-L246 HydrophobicContact CG1-CD2 3.84Å
217L96.9Very high97.8Very high16 Ų1625.5 Ų25.58%0.08415%0.145CC..THydrogen-bonded Turntrans-858.4173.7-66.4173.5000114.2M180 Y183 S213 L215 L219M180-L217 HydrophobicContact CB-CD1 4.13Å; M180-L217 HydrophobicContact SD-CD1 4.39Å; Y183-L217 HydrophobicContact CD2-CD1 4.08Å; Y183-L217 HydrophobicContact CD2-CD2 3.76Å; Y183-L217 HydrophobicContact CD2-CG 3.86Å; Y183-L217 HydrophobicContact CE2-CD2 3.64Å; Y183-L217 HydrophobicContact CE2-CG 4.17Å; S213-L217 WeakPolarHBondContact O-CB 3.32Å; S213-L217 WeakPolarHBondContact O-CG 3.44Å; S213-L217 PolarHBondContact O-N 3.33Å; L215-L217 VanDerWaalsContact C-N 3.29Å; L215-L217 PolarHBondContact O-N 3.42Å; L217-L219 HydrophobicContact CB-CD1 3.99Å; L217-L219 HydrophobicContact CB-CD2 4.46Å; L217-L219 HydrophobicContact CB-CG 3.75Å; L217-L219 HydrophobicContact CD1-CD1 4.33Å; L217-L219 WeakPolarHBondContact O-CD2 3.35Å; L217-L219 WeakPolarHBondContact O-CG 3.46Å; L217-L219 PolarHBondContact O-N 3.09Å
218H97.3Very high97.7Very high116 Ų11629.6 Ų29.654%0.53716%0.164SC..THydrogen-bonded Turntrans49.436.1179.2-55.7-22.4000113.9D166 R214 L215 I216D166-H218 PolarHBondContact N-O 2.99Å; D166-H218 VanDerWaalsContact N-O 3.14Å; D166-H218 WeakPolarHBondContact OD1-CB 3.4Å; D166-H218 IonicContact OD1-CD2 3.34Å; D166-H218 PolarHBondContact OD1-CD2 2.89Å; D166-H218 IonicContact OD1-CG 4Å; R214-H218 PolarHBondContact O-N 3.04Å; L215-H218 PolarHBondContact O-N 3.5Å; L215-H218 VanDerWaalsContact O-N 3.07Å; L215-H218 PolarHBondContact O-ND1 2.79Å; I216-H218 VanDerWaalsContact C-N 3.26Å; I216-H218 PolarHBondContact O-N 2.89Å
219L97.9Very high97.7Very high2 Ų239.4 Ų39.41%0.0120%0.201CC..EExtended strand (participates in β ladder)trans-87.1116-176.8-60.3-179.7000111.3V159 L164 H165 M170 T176 R214 L217 P221 S222V159-L219 HydrophobicContact CG2-CD1 3.82Å; L164-L219 CarbonylContact O-C 3.53Å; L164-L219 VanDerWaalsContact O-CA 3.26Å; L164-L219 WeakPolarHBondContact O-CA 3.38Å; H165-L219 HydrophobicContact CB-CD2 4.02Å; M170-L219 HydrophobicContact SD-CD2 4.22Å; T176-L219 HydrophobicContact CG2-CD1 3.64Å; T176-L219 HydrophobicContact CG2-CD2 3.74Å; T176-L219 HydrophobicContact CG2-CG 4.31Å; R214-L219 HydrophobicContact CB-CB 4.25Å; R214-L219 HydrophobicContact CG-CB 4.46Å; R214-L219 HydrophobicContact CG-CD1 4.31Å; R214-L219 PolarHBondContact O-N 3.18Å; L217-L219 HydrophobicContact CB-CD1 3.99Å; L217-L219 HydrophobicContact CB-CD2 4.46Å; L217-L219 HydrophobicContact CB-CG 3.75Å; L217-L219 HydrophobicContact CD1-CD1 4.33Å; L217-L219 WeakPolarHBondContact O-CD2 3.35Å; L217-L219 WeakPolarHBondContact O-CG 3.46Å; L217-L219 PolarHBondContact O-N 3.09Å; L219-P221 CarbonylContact O-C 3.46Å; L219-S222 WeakPolarHBondContact O-CA 3.31Å; L219-S222 PolarHBondContact O-N 2.86Å
220S96.6Very high97.6Very high41 Ų4141.5 Ų41.529%0.28721%0.212SC..EExtended strand (participates in β ladder)trans-103.1144.4176.170.80000112.1L164L164-S220 PolarHBondContact N-O 3.34Å; L164-S220 PolarHBondContact O-N 2.86Å
221P96.4Very high97.6Very high72 Ų7241.6 Ų41.647%0.46821%0.213SC..SBendcis-68.2144.3-9.229.6-33.5000111.6R214 L219 W223 P224R214-P221 PolarHBondContact NE-O 2.67Å; R214-P221 PolarHBondContact NH2-O 2.83Å; L219-P221 CarbonylContact O-C 3.46Å; P221-W223 VanDerWaalsContact C-N 3.26Å; P221-W223 PolarHBondContact O-N 3.22Å; P221-P224 HydrophobicContact CG-CB 4.09Å; P221-P224 HydrophobicContact CG-CG 4.05Å; P221-P224 WeakPolarHBondContact O-CD 3.46Å; P221-P224 WeakPolarHBondContact O-CG 3.32Å
222S94.4Very high97.6Very high45 Ų4544.5 Ų44.532%0.31524%0.243SC..SBendtrans-59.6-37.4-173.6-42.10000112.6R214 L219R214-S222 WeakPolarHBondContact CD-O 3.47Å; R214-S222 PolarHBondContact NE-O 3.36Å; L219-S222 WeakPolarHBondContact O-CA 3.31Å; L219-S222 PolarHBondContact O-N 2.86Å
223W98Very high97.6Very high25 Ų2546 Ų4610%0.09525%0.249CC..SBendtrans-126.194.9169-166.4-115.8000111A207 V210 A211 P221 L227 T231 Y233 W235 L238A207-W223 HydrophobicContact CB-CH2 3.87Å; A207-W223 HydrophobicContact CB-CZ2 4.4Å; A207-W223 WeakPolarHBondContact O-CZ3 3.49Å; V210-W223 HydrophobicContact CB-CZ3 4.27Å; V210-W223 HydrophobicContact CG1-CH2 4.46Å; V210-W223 HydrophobicContact CG1-CZ3 3.79Å; A211-W223 HydrophobicContact CB-CE3 3.98Å; A211-W223 HydrophobicContact CB-CZ3 4.14Å; P221-W223 VanDerWaalsContact C-N 3.26Å; P221-W223 PolarHBondContact O-N 3.22Å; W223-L227 HydrophobicContact CD2-CB 4.18Å; W223-L227 HydrophobicContact CE3-CB 4.27Å; W223-L227 HydrophobicContact CE3-CD1 4.17Å; W223-L227 HydrophobicContact CH2-CB 3.83Å; W223-L227 HydrophobicContact CH2-CD1 4.36Å; W223-L227 HydrophobicContact CH2-CD2 4.08Å; W223-L227 HydrophobicContact CH2-CG 4.31Å; W223-L227 HydrophobicContact CZ2-CB 3.71Å; W223-L227 HydrophobicContact CZ3-CB 4.12Å; W223-L227 HydrophobicContact CZ3-CD1 3.94Å; W223-L227 HydrophobicContact CZ3-CD2 4.41Å; W223-L227 HydrophobicContact CZ3-CG 4.39Å; W223-T231 HydrophobicContact CH2-CG2 4.31Å; W223-T231 HydrophobicContact CZ2-CG2 4.16Å; W223-Y233 PolarHBondContact NE1-O 2.96Å; W223-W235 HydrophobicContact CB-CE3 3.55Å; W223-W235 HydrophobicContact CB-CZ3 3.96Å; W223-W235 HydrophobicContact CG-CE3 4.25Å; W223-L238 HydrophobicContact CD2-CD1 3.61Å; W223-L238 VanDerWaalsContact CE2-CD1 3.45Å; W223-L238 HydrophobicContact CE3-CD1 3.76Å; W223-L238 HydrophobicContact CG-CD1 4.29Å; W223-L238 HydrophobicContact CH2-CD1 3.68Å; W223-L238 HydrophobicContact CZ2-CD1 3.52Å; W223-L238 HydrophobicContact CZ3-CD1 3.79Å
224P97.6Very high97.5Very high4 Ų446.9 Ų46.93%0.02626%0.256CS..  trans-65.7144.2179.8-2131.6000113.3P221 R226 L227 Q228P221-P224 HydrophobicContact CG-CB 4.09Å; P221-P224 HydrophobicContact CG-CG 4.05Å; P221-P224 WeakPolarHBondContact O-CD 3.46Å; P221-P224 WeakPolarHBondContact O-CG 3.32Å; P224-R226 HydrophobicContact CB-CG 4.1Å; P224-R226 PolarHBondContact O-N 3.15Å; P224-L227 HydrophobicContact CG-CD1 4.4Å; P224-L227 WeakPolarHBondContact O-CB 3.46Å; P224-L227 PolarHBondContact O-N 2.83Å; P224-Q228 PolarHBondContact O-N 3.06Å
225A97.6Very high97.5Very high64 Ų6451 Ų5153%0.52927%0.272SS..Hα-helixtrans-56.8-22.5179.700000114.6R229A225-R229 WeakPolarHBondContact O-CB 3.44Å; A225-R229 PolarHBondContact O-N 2.95Å
226R97.3Very high97.5Very high57 Ų5754.8 Ų54.822%0.21529%0.288CS..Hα-helixtrans-68.4-37.4172.573-168.2-178.6-107.2-6.1112.7V157 G158 L160 D163 P224 R229 L230V157-R226 PolarHBondContact O-NE 2.95Å; V157-R226 PolarHBondContact O-NH2 2.68Å; G158-R226 PolarHBondContact O-NH2 3.03Å; L160-R226 VanDerWaalsContact CD1-CD 3.48Å; D163-R226 IonicContact OD1-CZ 2.72Å; D163-R226 IonicContact OD1-NH1 2.68Å; D163-R226 PolarHBondContact OD1-NH1 2.92Å; D163-R226 IonicContact OD1-NH2 2.68Å; D163-R226 PolarHBondContact OD1-NH2 3.21Å; D163-R226 IonicContact OD2-CZ 3.17Å; D163-R226 IonicContact OD2-NH1 3.26Å; D163-R226 IonicContact OD2-NH2 3.11Å; D163-R226 PolarHBondContact OD2-NH2 2.63Å; P224-R226 HydrophobicContact CB-CG 4.1Å; P224-R226 PolarHBondContact O-N 3.15Å; R226-R229 PolarHBondContact O-N 3.21Å; R226-L230 WeakPolarHBondContact O-CB 3.36Å; R226-L230 PolarHBondContact O-N 3.28Å
227L98.1Very high97.5Very high0 Ų056.6 Ų56.60%030%0.298CS..Hα-helixtrans-74.4-40.6176.6-88.4165.5000110.5V157 V210 W223 P224 R229 L230 T231V157-L227 HydrophobicContact CG2-CD2 3.76Å; V157-L227 HydrophobicContact CG2-CG 4.08Å; V210-L227 HydrophobicContact CG1-CD1 3.89Å; V210-L227 HydrophobicContact CG1-CD2 4.24Å; W223-L227 HydrophobicContact CD2-CB 4.18Å; W223-L227 HydrophobicContact CE3-CB 4.27Å; W223-L227 HydrophobicContact CE3-CD1 4.17Å; W223-L227 HydrophobicContact CH2-CB 3.83Å; W223-L227 HydrophobicContact CH2-CD1 4.36Å; W223-L227 HydrophobicContact CH2-CD2 4.08Å; W223-L227 HydrophobicContact CH2-CG 4.31Å; W223-L227 HydrophobicContact CZ2-CB 3.71Å; W223-L227 HydrophobicContact CZ3-CB 4.12Å; W223-L227 HydrophobicContact CZ3-CD1 3.94Å; W223-L227 HydrophobicContact CZ3-CD2 4.41Å; W223-L227 HydrophobicContact CZ3-CG 4.39Å; P224-L227 HydrophobicContact CG-CD1 4.4Å; P224-L227 WeakPolarHBondContact O-CB 3.46Å; P224-L227 PolarHBondContact O-N 2.83Å; L227-R229 VanDerWaalsContact C-N 3.31Å; L227-R229 PolarHBondContact O-N 2.72Å; L227-L230 PolarHBondContact O-N 3.06Å; L227-T231 WeakPolarHBondContact O-CB 3.1Å; L227-T231 WeakPolarHBondContact O-CG2 3.47Å; L227-T231 PolarHBondContact O-N 2.73Å; L227-T231 PolarHBondContact O-OG1 2.73Å
228Q98.3Very high97.5Very high86 Ų8655.8 Ų55.840%0.40229%0.294SS..Hα-helixtrans-57.2-43.7169.3-180174.520.400111.9P224 G232 Y233P224-Q228 PolarHBondContact O-N 3.06Å; Q228-G232 VanDerWaalsContact O-CA 3.3Å; Q228-G232 WeakPolarHBondContact O-CA 3.33Å; Q228-G232 PolarHBondContact O-N 2.78Å; Q228-Y233 WeakPolarHBondContact CA-O 3.32Å; Q228-Y233 WeakPolarHBondContact CG-O 3.11Å
229R97.8Very high97.5Very high207 Ų20751.9 Ų51.978%0.78128%0.278SS*.Hα-helixtrans-66.7-37.2176.7-170.6-174.6-60.51492.3113.1A225 R226 L227A225-R229 WeakPolarHBondContact O-CB 3.44Å; A225-R229 PolarHBondContact O-N 2.95Å; R226-R229 PolarHBondContact O-N 3.21Å; L227-R229 VanDerWaalsContact C-N 3.31Å; L227-R229 PolarHBondContact O-N 2.72Å
230L97.6Very high97.6Very high43 Ų4354.6 Ų54.623%0.22530%0.296CS..Hα-helixtrans-71.4-41.6180-169.770.7000112.3Y17 Y153 Y154 V157 R226 L227Y17-L230 WeakPolarHBondContact CE1-O 3.37Å; Y153-L230 HydrophobicContact CD1-CD2 4.05Å; Y153-L230 HydrophobicContact CD1-CG 4.31Å; Y153-L230 HydrophobicContact CE1-CD1 3.62Å; Y153-L230 HydrophobicContact CE1-CD2 3.92Å; Y153-L230 HydrophobicContact CE1-CG 3.73Å; Y153-L230 WeakPolarHBondContact OH-CD1 3.14Å; Y154-L230 HydrophobicContact CD1-CD2 4.08Å; V157-L230 HydrophobicContact CG2-CD2 3.54Å; R226-L230 WeakPolarHBondContact O-CB 3.36Å; R226-L230 PolarHBondContact O-N 3.28Å; L227-L230 PolarHBondContact O-N 3.06Å
231T97.8Very high97.7Very high3 Ų352.6 Ų52.62%0.01828%0.282CS..Hα-helixtrans-95.5-22.3-17265.50000114.3Y17 R21 Y154 A207 W223 L227 Y233Y17-T231 WeakPolarHBondContact OH-CA 3.19Å; R21-T231 PolarHBondContact NH1-O 3.06Å; Y154-T231 HydrophobicContact CD1-CG2 3.75Å; Y154-T231 HydrophobicContact CD2-CG2 4.29Å; Y154-T231 HydrophobicContact CE1-CG2 3.46Å; Y154-T231 VanDerWaalsContact CE1-CG2 3.46Å; Y154-T231 HydrophobicContact CE2-CG2 4.02Å; Y154-T231 HydrophobicContact CG-CG2 4.15Å; A207-T231 HydrophobicContact CB-CG2 4.4Å; W223-T231 HydrophobicContact CH2-CG2 4.31Å; W223-T231 HydrophobicContact CZ2-CG2 4.16Å; L227-T231 WeakPolarHBondContact O-CB 3.1Å; L227-T231 WeakPolarHBondContact O-CG2 3.47Å; L227-T231 PolarHBondContact O-N 2.73Å; L227-T231 PolarHBondContact O-OG1 2.73Å; T231-Y233 PolarHBondContact O-N 3.41Å; T231-Y233 PolarHBondContact OG1-N 3.41Å; T231-Y233 VanDerWaalsContact OG1-N 3.1Å
232G97.9Very high97.7Very high61 Ų6149.3 Ų49.363%0.62926%0.261SS*.  trans77-4.2-167.500000114.6Q228Q228-G232 VanDerWaalsContact O-CA 3.3Å; Q228-G232 WeakPolarHBondContact O-CA 3.33Å; Q228-G232 PolarHBondContact O-N 2.78Å
233Y98.4Very high97.9Very high31 Ų3152.3 Ų52.312%0.12227%0.27CS..  trans-91.6126.1-178.2-65.7-57.8000112.3R21 S203 L204 A207 W223 Q228 T231 N237 L238R21-Y233 PolarHBondContact NH2-OH 3.46Å; S203-Y233 PolarHBondContact OG-OH 3.3Å; L204-Y233 HydrophobicContact CB-CE1 4.33Å; L204-Y233 HydrophobicContact CB-CE2 3.89Å; L204-Y233 HydrophobicContact CD1-CD1 4.44Å; L204-Y233 HydrophobicContact CD1-CE1 3.95Å; L204-Y233 HydrophobicContact CG-CE1 4.21Å; L204-Y233 HydrophobicContact CG-CE2 4.35Å; A207-Y233 HydrophobicContact CB-CD2 4.16Å; W223-Y233 PolarHBondContact NE1-O 2.96Å; Q228-Y233 WeakPolarHBondContact CA-O 3.32Å; Q228-Y233 WeakPolarHBondContact CG-O 3.11Å; T231-Y233 PolarHBondContact O-N 3.41Å; T231-Y233 PolarHBondContact OG1-N 3.41Å; T231-Y233 VanDerWaalsContact OG1-N 3.1Å; Y233-N237 HydrophobicContact CD1-CB 3.82Å; Y233-N237 HydrophobicContact CG-CB 4.44Å; Y233-L238 HydrophobicContact CD2-CD2 4.28Å; Y233-L238 HydrophobicContact CG-CD2 4.1Å
234A98.1Very high97.9Very high19 Ų1955.1 Ų55.116%0.15728%0.283CS..  trans-81.6169.9165.900000110.6E236 N237A234-E236 VanDerWaalsContact C-N 3.27Å; A234-E236 WeakPolarHBondContact CB-OE2 3.43Å; A234-E236 PolarHBondContact O-N 3.03Å; A234-N237 PolarHBondContact N-OD1 3.2Å; A234-N237 WeakPolarHBondContact O-CB 3.36Å; A234-N237 PolarHBondContact O-N 2.88Å; A234-N237 VanDerWaalsContact O-N 3.15Å
235W97.4Very high98Very high86 Ų8655 Ų5533%0.32628%0.282SS..Hα-helixtrans-57.5-42.2-175.1179.7-113.1000112.5A211 L215 W223 N237 L238 T239A211-W235 HydrophobicContact CB-CZ3 4.05Å; L215-W235 HydrophobicContact CD1-CH2 3.83Å; L215-W235 HydrophobicContact CD1-CZ2 4.4Å; L215-W235 HydrophobicContact CD2-CH2 4.31Å; L215-W235 HydrophobicContact CG-CH2 4.2Å; W223-W235 HydrophobicContact CB-CE3 3.55Å; W223-W235 HydrophobicContact CB-CZ3 3.96Å; W223-W235 HydrophobicContact CG-CE3 4.25Å; W235-N237 PolarHBondContact O-N 2.92Å; W235-L238 PolarHBondContact O-N 3.3Å; W235-T239 PolarHBondContact O-N 3.07Å; W235-T239 PolarHBondContact O-OG1 3.46Å
236E97.8Very high98Very high134 Ų13453.4 Ų53.463%0.62627%0.265SS*.Hα-helixtrans-66.3-22-175.9-4974.7-164.400112.2A234A234-E236 VanDerWaalsContact C-N 3.27Å; A234-E236 WeakPolarHBondContact CB-OE2 3.43Å; A234-E236 PolarHBondContact O-N 3.03Å
237N97.8Very high98Very high76 Ų7656 Ų5641%0.40628%0.282SS..Hα-helixtrans-77.1-29.4173-52.3132.7000112Y233 A234 W235Y233-N237 HydrophobicContact CD1-CB 3.82Å; Y233-N237 HydrophobicContact CG-CB 4.44Å; A234-N237 PolarHBondContact N-OD1 3.2Å; A234-N237 WeakPolarHBondContact O-CB 3.36Å; A234-N237 PolarHBondContact O-N 2.88Å; A234-N237 VanDerWaalsContact O-N 3.15Å; W235-N237 PolarHBondContact O-N 2.92Å
238L98.1Very high97.9Very high0 Ų057.5 Ų57.50%029%0.293CS..Hα-helixtrans-90.6-32.3-174.8-57.5-178.3000112.4L204 A207 A211 W223 Y233 W235 P240 C241 A242L204-L238 HydrophobicContact CD2-CD2 4.18Å; L204-L238 HydrophobicContact CG-CD2 4.1Å; A207-L238 HydrophobicContact CB-CD1 4.31Å; A207-L238 HydrophobicContact CB-CD2 3.62Å; A211-L238 HydrophobicContact CB-CD1 4.15Å; W223-L238 HydrophobicContact CD2-CD1 3.61Å; W223-L238 VanDerWaalsContact CE2-CD1 3.45Å; W223-L238 HydrophobicContact CE3-CD1 3.76Å; W223-L238 HydrophobicContact CG-CD1 4.29Å; W223-L238 HydrophobicContact CH2-CD1 3.68Å; W223-L238 HydrophobicContact CZ2-CD1 3.52Å; W223-L238 HydrophobicContact CZ3-CD1 3.79Å; Y233-L238 HydrophobicContact CD2-CD2 4.28Å; Y233-L238 HydrophobicContact CG-CD2 4.1Å; W235-L238 PolarHBondContact O-N 3.3Å; L238-P240 VanDerWaalsContact C-CD 3.48Å; L238-C241 PolarHBondContact O-N 3.07Å; L238-A242 WeakPolarHBondContact O-CB 3.34Å; L238-A242 PolarHBondContact O-N 2.95Å
239T97.6Very high97.7Very high33 Ų3354.6 Ų54.620%0.20228%0.28CS..Hα-helixtrans-44.9-51.6-176.4-440000113.3W235 C241 A242 E243W235-T239 PolarHBondContact O-N 3.07Å; W235-T239 PolarHBondContact O-OG1 3.46Å; T239-C241 PolarHBondContact O-N 3.19Å; T239-C241 VanDerWaalsContact O-N 3.11Å; T239-A242 PolarHBondContact O-N 3.49Å; T239-E243 HydrophobicContact CG2-CG 4.03Å; T239-E243 WeakPolarHBondContact CG2-OE1 3.45Å; T239-E243 WeakPolarHBondContact O-CB 3.36Å; T239-E243 VanDerWaalsContact O-CG 3.28Å; T239-E243 WeakPolarHBondContact O-CG 3.38Å; T239-E243 PolarHBondContact O-N 2.88Å
240P98.3Very high97.6Very high59 Ų5948.2 Ų48.238%0.38326%0.261SS..Hα-helixtrans-69.2-15.2-174.4-1833.2000114.9F200 L238 K244F200-P240 HydrophobicContact CE1-CB 4.29Å; F200-P240 HydrophobicContact CZ-CB 4.46Å; L238-P240 VanDerWaalsContact C-CD 3.48Å; P240-K244 VanDerWaalsContact O-CE 3.26Å; P240-K244 WeakPolarHBondContact O-CE 3.4Å; P240-K244 WeakPolarHBondContact O-CG 3.24Å
241C98.5Very high97.4Very high0 Ų049.1 Ų49.10%027%0.271CS..Hα-helixtrans-97.7-42.5174.3-172.10000111F200 L204 A208 L238 T239 E243 K244 L245F200-C241 HydrophobicContact CD1-CB 3.95Å; F200-C241 HydrophobicContact CD2-CB 4.46Å; F200-C241 HydrophobicContact CE1-CB 3.79Å; F200-C241 HydrophobicContact CE2-CB 4.33Å; F200-C241 HydrophobicContact CG-CB 4.28Å; F200-C241 HydrophobicContact CZ-CB 3.98Å; L204-C241 HydrophobicContact CD2-CB 3.7Å; A208-C241 HydrophobicContact CB-CB 3.73Å; L238-C241 PolarHBondContact O-N 3.07Å; T239-C241 PolarHBondContact O-N 3.19Å; T239-C241 VanDerWaalsContact O-N 3.11Å; C241-E243 PolarHBondContact O-N 3.43Å; C241-K244 PolarHBondContact O-N 3.02Å; C241-L245 PolarHBondContact O-N 3.48Å
242A98.3Very high97.1Very high3 Ų352.3 Ų52.33%0.02529%0.288CS..Hα-helixtrans-63.7-39.6178.400000112.1A208 L238 T239 K244 L245 L246A208-A242 HydrophobicContact CB-CB 4.29Å; L238-A242 WeakPolarHBondContact O-CB 3.34Å; L238-A242 PolarHBondContact O-N 2.95Å; T239-A242 PolarHBondContact O-N 3.49Å; A242-K244 VanDerWaalsContact C-N 3.29Å; A242-K244 PolarHBondContact O-N 3.42Å; A242-L245 PolarHBondContact O-N 3.13Å; A242-L246 WeakPolarHBondContact O-CD1 3.45Å; A242-L246 VanDerWaalsContact O-CG 3.25Å; A242-L246 WeakPolarHBondContact O-CG 3.26Å; A242-L246 PolarHBondContact O-N 3.05Å
243E98.1Very high96.8Very high108 Ų10852.5 Ų52.551%0.50528%0.277SS..Hα-helixtrans-58.2-39.8173.9-74.8174.4160.100112.2T239 C241 L246 I247T239-E243 HydrophobicContact CG2-CG 4.03Å; T239-E243 WeakPolarHBondContact CG2-OE1 3.45Å; T239-E243 WeakPolarHBondContact O-CB 3.36Å; T239-E243 VanDerWaalsContact O-CG 3.28Å; T239-E243 WeakPolarHBondContact O-CG 3.38Å; T239-E243 PolarHBondContact O-N 2.88Å; C241-E243 PolarHBondContact O-N 3.43Å; E243-L246 PolarHBondContact O-N 3.45Å; E243-I247 WeakPolarHBondContact O-CB 3.35Å; E243-I247 WeakPolarHBondContact O-CD1 3.4Å; E243-I247 WeakPolarHBondContact O-CG1 3.35Å; E243-I247 PolarHBondContact O-N 3.31Å
244K98.4Very high96.5Very high84 Ų8457.2 Ų57.237%0.36530%0.298SS..Hα-helixtrans-67.1-42.3179-62.8-177.6-169.9-54.90111.8I196 F197 F200 P240 C241 A242 I247 A248I196-K244 HydrophobicContact CG1-CD 4.1Å; I196-K244 HydrophobicContact CG2-CD 4.1Å; F197-K244 HydrophobicContact CE1-CB 3.91Å; F197-K244 HydrophobicContact CZ-CB 3.74Å; F200-K244 HydrophobicContact CE2-CD 4.25Å; F200-K244 HydrophobicContact CZ-CD 4.44Å; P240-K244 VanDerWaalsContact O-CE 3.26Å; P240-K244 WeakPolarHBondContact O-CE 3.4Å; P240-K244 WeakPolarHBondContact O-CG 3.24Å; C241-K244 PolarHBondContact O-N 3.02Å; A242-K244 VanDerWaalsContact C-N 3.29Å; A242-K244 PolarHBondContact O-N 3.42Å; K244-I247 PolarHBondContact O-N 2.88Å; K244-A248 PolarHBondContact O-N 3.49Å; K244-A248 VanDerWaalsContact O-N 3.09Å
245L98.4Very high96.2Very high0 Ų059.7 Ų59.70%031%0.307CS..Hα-helixtrans-60.1-44.9174.2-67.9172.3000111.3F187 V190 F197 A208 C209 A212 C241 A242 A248 H249F187-L245 HydrophobicContact CB-CD1 4.43Å; F187-L245 HydrophobicContact CB-CD2 4.45Å; F187-L245 HydrophobicContact CD1-CB 3.72Å; F187-L245 HydrophobicContact CD1-CD2 4.29Å; F187-L245 HydrophobicContact CD1-CG 4.42Å; F187-L245 HydrophobicContact CE1-CB 4.01Å; F187-L245 WeakPolarHBondContact CE1-O 3.48Å; F187-L245 WeakPolarHBondContact O-CD2 3.4Å; V190-L245 HydrophobicContact CB-CD2 4.33Å; V190-L245 HydrophobicContact CG1-CD2 3.93Å; F197-L245 HydrophobicContact CE1-CD2 3.7Å; F197-L245 HydrophobicContact CE1-CG 3.8Å; F197-L245 HydrophobicContact CE2-CD2 4.33Å; F197-L245 HydrophobicContact CZ-CD2 3.57Å; F197-L245 HydrophobicContact CZ-CG 3.96Å; A208-L245 HydrophobicContact CB-CD1 3.98Å; C209-L245 HydrophobicContact CB-CD1 4.5Å; A212-L245 HydrophobicContact CB-CB 4.35Å; A212-L245 HydrophobicContact CB-CD1 4.49Å; C241-L245 PolarHBondContact O-N 3.48Å; A242-L245 PolarHBondContact O-N 3.13Å; L245-A248 PolarHBondContact O-N 3.07Å; L245-H249 PolarHBondContact O-N 2.93Å
246L98Very high95.7Very high32 Ų3257.6 Ų57.617%0.16831%0.307CS..Hα-helixtrans-68.7-39.7179.3-67164.8000112.7F187 A212 L215 I216 A242 E243 A248 H249 D250F187-L246 HydrophobicContact CZ-CD2 4.13Å; A212-L246 HydrophobicContact CB-CD2 4.04Å; A212-L246 HydrophobicContact CB-CG 4.11Å; L215-L246 HydrophobicContact CD1-CD1 3.66Å; I216-L246 HydrophobicContact CD1-CD2 3.67Å; I216-L246 HydrophobicContact CG1-CD2 3.84Å; A242-L246 WeakPolarHBondContact O-CD1 3.45Å; A242-L246 VanDerWaalsContact O-CG 3.25Å; A242-L246 WeakPolarHBondContact O-CG 3.26Å; A242-L246 PolarHBondContact O-N 3.05Å; E243-L246 PolarHBondContact O-N 3.45Å; L246-A248 VanDerWaalsContact C-N 3.31Å; L246-A248 PolarHBondContact O-N 3.46Å; L246-H249 PolarHBondContact O-N 2.98Å; L246-D250 WeakPolarHBondContact O-CB 3.33Å; L246-D250 PolarHBondContact O-N 2.9Å
247I97.5Very high95.3Very high112 Ų11255.5 Ų55.557%0.57430%0.301SS*.Hα-helixtrans-63.5-36.9175.4-71.8163.4000111.4E243 K244 S251E243-I247 WeakPolarHBondContact O-CB 3.35Å; E243-I247 WeakPolarHBondContact O-CD1 3.4Å; E243-I247 WeakPolarHBondContact O-CG1 3.35Å; E243-I247 PolarHBondContact O-N 3.31Å; K244-I247 PolarHBondContact O-N 2.88Å; I247-S251 WeakPolarHBondContact O-CB 3.35Å; I247-S251 PolarHBondContact O-N 3.29Å; I247-S251 PolarHBondContact O-OG 3.32Å
248A95Very high94.9Very high30 Ų3057 Ų5725%0.24830%0.304CS..Hα-helixtrans-66.6-50173.500000111.6V190 K244 L245 L246 D250 S251 D252V190-A248 HydrophobicContact CG1-CB 3.57Å; K244-A248 PolarHBondContact O-N 3.49Å; K244-A248 VanDerWaalsContact O-N 3.09Å; L245-A248 PolarHBondContact O-N 3.07Å; L246-A248 VanDerWaalsContact C-N 3.31Å; L246-A248 PolarHBondContact O-N 3.46Å; A248-D250 VanDerWaalsContact C-N 3.34Å; A248-D250 PolarHBondContact O-N 3.12Å; A248-S251 WeakPolarHBondContact O-CA 3.16Å; A248-S251 WeakPolarHBondContact O-CB 3.43Å; A248-S251 PolarHBondContact O-N 2.83Å; A248-D252 PolarHBondContact O-N 3Å
249H95.4Very high94.1Very high25 Ų2562.3 Ų62.312%0.11633%0.328CS..Hα-helixtrans-52.5-48.9173.5165.2-87.9000112.8Y186 F187 L245 L246 S251 D252 V253Y186-H249 HydrophobicContact CE1-CB 4.11Å; Y186-H249 AromaticContact CE1-CD2 3.81Å; Y186-H249 WeakPolarHBondContact OH-CA 3.35Å; F187-H249 HydrophobicContact CE1-CB 3.83Å; F187-H249 HydrophobicContact CZ-CB 4.19Å; L245-H249 PolarHBondContact O-N 2.93Å; L246-H249 PolarHBondContact O-N 2.98Å; H249-S251 PolarHBondContact O-N 3.15Å; H249-S251 VanDerWaalsContact O-N 3.15Å; H249-D252 PolarHBondContact O-N 3.25Å; H249-V253 WeakPolarHBondContact O-CG2 3.49Å; H249-V253 PolarHBondContact O-N 2.67Å
250D95.1Very high93.4Very high74 Ų7465.9 Ų65.940%0.39634%0.342SS..Hα-helixtrans-67-15.8179.5-80.418.3000112.8L246 A248 K254L246-D250 WeakPolarHBondContact O-CB 3.33Å; L246-D250 PolarHBondContact O-N 2.9Å; A248-D250 VanDerWaalsContact C-N 3.34Å; A248-D250 PolarHBondContact O-N 3.12Å; D250-K254 WeakPolarHBondContact O-CD 3.46Å; D250-K254 WeakPolarHBondContact O-CE 3.12Å; D250-K254 WeakPolarHBondContact O-CG 3.45Å; D250-K254 PolarHBondContact O-NZ 3.41Å
251S93.9Very high92.8Very high62 Ų6266.5 Ų66.543%0.43435%0.348SS..Hα-helixtrans-86.8-44.8173.3-57.30000110.9I247 A248 H249 V253 K254 E255I247-S251 WeakPolarHBondContact O-CB 3.35Å; I247-S251 PolarHBondContact O-N 3.29Å; I247-S251 PolarHBondContact O-OG 3.32Å; A248-S251 WeakPolarHBondContact O-CA 3.16Å; A248-S251 WeakPolarHBondContact O-CB 3.43Å; A248-S251 PolarHBondContact O-N 2.83Å; H249-S251 PolarHBondContact O-N 3.15Å; H249-S251 VanDerWaalsContact O-N 3.15Å; S251-V253 PolarHBondContact O-N 2.81Å; S251-K254 PolarHBondContact O-N 3.4Å; S251-E255 PolarHBondContact O-N 3.36Å
252D91.8Very high92Very high70 Ų7070.8 Ų70.837%0.37437%0.37SS..Hα-helixtrans-57.4-46.4173.9-70.1-10000111.4Y186 A248 H249 K254 E255 A256Y186-D252 PolarHBondContact OH-OD2 3.32Å; A248-D252 PolarHBondContact O-N 3Å; H249-D252 PolarHBondContact O-N 3.25Å; D252-K254 VanDerWaalsContact C-N 3.34Å; D252-K254 PolarHBondContact O-N 2.81Å; D252-E255 PolarHBondContact O-N 3.07Å; D252-A256 WeakPolarHBondContact O-CB 3.37Å; D252-A256 PolarHBondContact O-N 3.11Å
253V91.2Very high91Very high64 Ų6477.1 Ų77.139%0.38840%0.399SS..Hα-helixtrans-61.7-39.5177.8170.30000111.8H249 S251 N257H249-V253 WeakPolarHBondContact O-CG2 3.49Å; H249-V253 PolarHBondContact O-N 2.67Å; S251-V253 PolarHBondContact O-N 2.81Å; V253-N257 WeakPolarHBondContact O-CB 3.4Å; V253-N257 PolarHBondContact O-N 3.14Å; V253-N257 PolarHBondContact O-ND2 3.34Å; V253-N257 VanDerWaalsContact O-ND2 3.13Å
254K92.6Very high90Very high130 Ų13077.9 Ų77.957%0.56540%0.402SS*.Hα-helixtrans-67-43.1177.6-73.4168.6-164.1122.20111.6D250 S251 D252 K258D250-K254 WeakPolarHBondContact O-CD 3.46Å; D250-K254 WeakPolarHBondContact O-CE 3.12Å; D250-K254 WeakPolarHBondContact O-CG 3.45Å; D250-K254 PolarHBondContact O-NZ 3.41Å; S251-K254 PolarHBondContact O-N 3.4Å; D252-K254 VanDerWaalsContact C-N 3.34Å; D252-K254 PolarHBondContact O-N 2.81Å; K254-K258 WeakPolarHBondContact O-CB 3.21Å; K254-K258 PolarHBondContact O-N 3.03Å
255E90.2Very high88.9Confident72 Ų7279.8 Ų79.834%0.33641%0.413SS..Hα-helixtrans-68.8-40.7178.7-174.658.2-142.700111.5S251 D252 N257 K258 Q259S251-E255 PolarHBondContact O-N 3.36Å; D252-E255 PolarHBondContact O-N 3.07Å; E255-N257 PolarHBondContact O-N 3.01Å; E255-K258 WeakPolarHBondContact O-CB 3.5Å; E255-K258 PolarHBondContact O-N 2.96Å; E255-K258 IonicContact OE1-NZ 3.41Å; E255-K258 PolarHBondContact OE1-NZ 3.3Å; E255-K258 WeakPolarHBondContact OE2-CD 3.4Å; E255-K258 IonicContact OE2-NZ 3.41Å; E255-K258 PolarHBondContact OE2-NZ 3.44Å; E255-Q259 WeakPolarHBondContact O-CG 3.33Å; E255-Q259 PolarHBondContact O-N 3.02Å; E255-Q259 PolarHBondContact OE1-NE2 3.46Å
256A88.4Confident87.6Confident41 Ų4186.2 Ų86.234%0.33944%0.443SS..Hα-helixtrans-59.6-46.3173.800000112.5D252 K258 Q259 Q260D252-A256 WeakPolarHBondContact O-CB 3.37Å; D252-A256 PolarHBondContact O-N 3.11Å; A256-K258 VanDerWaalsContact C-N 3.35Å; A256-K258 PolarHBondContact O-N 3.37Å; A256-Q259 PolarHBondContact O-N 3.41Å; A256-Q260 WeakPolarHBondContact O-CG 3.48Å; A256-Q260 PolarHBondContact O-N 3.44Å
257N88.4Confident86.3Confident91 Ų9187.5 Ų87.549%0.48746%0.455SS..Hα-helixtrans-63.1-39.8177.7-72.7-25.1000112.3V253 E255 Q260 C261V253-N257 WeakPolarHBondContact O-CB 3.4Å; V253-N257 PolarHBondContact O-N 3.14Å; V253-N257 PolarHBondContact O-ND2 3.34Å; V253-N257 VanDerWaalsContact O-ND2 3.13Å; E255-N257 PolarHBondContact O-N 3.01Å; N257-Q260 PolarHBondContact O-N 3.36Å; N257-C261 PolarHBondContact O-N 3.44Å
258K89.2Confident84.7Confident108 Ų10887.9 Ų87.947%0.4745%0.454SS..Hα-helixtrans-63.2-42.9174.6170.7-166.2166.1-136.70111.9K254 E255 A256 C261 L262K254-K258 WeakPolarHBondContact O-CB 3.21Å; K254-K258 PolarHBondContact O-N 3.03Å; E255-K258 WeakPolarHBondContact O-CB 3.5Å; E255-K258 PolarHBondContact O-N 2.96Å; E255-K258 IonicContact OE1-NZ 3.41Å; E255-K258 PolarHBondContact OE1-NZ 3.3Å; E255-K258 WeakPolarHBondContact OE2-CD 3.4Å; E255-K258 IonicContact OE2-NZ 3.41Å; E255-K258 PolarHBondContact OE2-NZ 3.44Å; A256-K258 VanDerWaalsContact C-N 3.35Å; A256-K258 PolarHBondContact O-N 3.37Å; K258-C261 WeakPolarHBondContact O-CB 3.37Å; K258-C261 PolarHBondContact O-N 3.34Å; K258-L262 HydrophobicContact CG-CD1 4.32Å; K258-L262 WeakPolarHBondContact O-CG 3.39Å; K258-L262 PolarHBondContact O-N 2.96Å
259Q82.8Confident83.2Confident111 Ų11189.4 Ų89.452%0.51947%0.467SS..Hα-helixtrans-64.9-41.3176.5-71.4174.917.300112.2E255 A256 C261 L262 Q263E255-Q259 WeakPolarHBondContact O-CG 3.33Å; E255-Q259 PolarHBondContact O-N 3.02Å; E255-Q259 PolarHBondContact OE1-NE2 3.46Å; A256-Q259 PolarHBondContact O-N 3.41Å; Q259-C261 VanDerWaalsContact C-N 3.34Å; Q259-C261 PolarHBondContact O-N 2.91Å; Q259-L262 PolarHBondContact O-N 2.95Å; Q259-Q263 WeakPolarHBondContact O-CB 3.42Å; Q259-Q263 PolarHBondContact O-N 3.29Å
260Q82.1Confident81.4Confident107 Ų10794 Ų9450%0.549%0.491SS..Hα-helixtrans-60.3-42.5173-70175.923.700112.1A256 N257 Q263 Q264A256-Q260 WeakPolarHBondContact O-CG 3.48Å; A256-Q260 PolarHBondContact O-N 3.44Å; N257-Q260 PolarHBondContact O-N 3.36Å; Q260-Q263 PolarHBondContact O-N 3.22Å; Q260-Q264 WeakPolarHBondContact O-CG 3.44Å; Q260-Q264 PolarHBondContact O-N 3.41Å
261C85.1Confident79.4Confident73 Ų7396.8 Ų96.849%0.49351%0.505SS..Hα-helixtrans-61.1-48176.5-174.90000112.1N257 K258 Q259 Q263 Q264 Q265N257-C261 PolarHBondContact O-N 3.44Å; K258-C261 WeakPolarHBondContact O-CB 3.37Å; K258-C261 PolarHBondContact O-N 3.34Å; Q259-C261 VanDerWaalsContact C-N 3.34Å; Q259-C261 PolarHBondContact O-N 2.91Å; C261-Q263 VanDerWaalsContact C-N 3.33Å; C261-Q263 PolarHBondContact O-N 3.3Å; C261-Q264 PolarHBondContact O-N 3.09Å; C261-Q265 WeakPolarHBondContact O-CB 3.28Å; C261-Q265 PolarHBondContact O-N 3.39Å
262L82.9Confident77.6Confident89 Ų89101.1 Ų101.147%0.46652%0.519SS..Hα-helixtrans-59.9-41.6176.3-69.9167.3000112.1K258 Q259 Q265 Q266K258-L262 HydrophobicContact CG-CD1 4.32Å; K258-L262 WeakPolarHBondContact O-CG 3.39Å; K258-L262 PolarHBondContact O-N 2.96Å; Q259-L262 PolarHBondContact O-N 2.95Å; L262-Q265 PolarHBondContact O-N 3.36Å; L262-Q266 PolarHBondContact O-N 2.98Å
263Q77.1Confident75.6Confident136 Ų136101.9 Ų101.964%0.63653%0.529SS*.Hα-helixtrans-67.9-38.8179.1-168.7173.562.400112.2Q259 Q260 C261 S267Q259-Q263 WeakPolarHBondContact O-CB 3.42Å; Q259-Q263 PolarHBondContact O-N 3.29Å; Q260-Q263 PolarHBondContact O-N 3.22Å; C261-Q263 VanDerWaalsContact C-N 3.33Å; C261-Q263 PolarHBondContact O-N 3.3Å; Q263-S267 WeakPolarHBondContact O-CB 3.47Å; Q263-S267 PolarHBondContact O-N 3.44Å; Q263-S267 PolarHBondContact O-OG 3.37Å
264Q76.3Confident73.6Confident124 Ų124103.7 Ų103.758%0.57955%0.545SS*.Hα-helixtrans-62.9-41.9171.4-72.9-1808.400111.7Q260 C261 S267 Q268Q260-Q264 WeakPolarHBondContact O-CG 3.44Å; Q260-Q264 PolarHBondContact O-N 3.41Å; C261-Q264 PolarHBondContact O-N 3.09Å; Q264-S267 WeakPolarHBondContact O-CB 3.44Å; Q264-S267 PolarHBondContact O-N 3.25Å; Q264-Q268 WeakPolarHBondContact O-CG 3.42Å; Q264-Q268 PolarHBondContact O-N 2.71Å
265Q75.6Confident71.2Confident125 Ų125100.3 Ų100.358%0.58455%0.547SS*.Hα-helixtrans-69-40.3-177.7-158.2168.244.900112.3C261 L262 Q268 A269C261-Q265 WeakPolarHBondContact O-CB 3.28Å; C261-Q265 PolarHBondContact O-N 3.39Å; L262-Q265 PolarHBondContact O-N 3.36Å; Q265-Q268 PolarHBondContact O-N 3.22Å; Q265-A269 PolarHBondContact O-N 3.21Å
266Q71.6Confident68.7Low135 Ų135105.3 Ų105.363%0.63157%0.57SS**Hα-helixtrans-61.6-40.8169-73.4-176.8-10.700112.3L262 Q268 A269 L270L262-Q266 PolarHBondContact O-N 2.98Å; Q266-Q268 VanDerWaalsContact C-N 3.33Å; Q266-Q268 PolarHBondContact O-N 3.04Å; Q266-A269 PolarHBondContact O-N 2.96Å; Q266-L270 PolarHBondContact O-N 2.99Å
267S69.8Low66.3Low59 Ų59109.2 Ų109.241%0.41359%0.592SS.*Hα-helixtrans-62.1-40.3177.2-55.70000112.1Q263 Q264 L271Q263-S267 WeakPolarHBondContact O-CB 3.47Å; Q263-S267 PolarHBondContact O-N 3.44Å; Q263-S267 PolarHBondContact O-OG 3.37Å; Q264-S267 WeakPolarHBondContact O-CB 3.44Å; Q264-S267 PolarHBondContact O-N 3.25Å; S267-L271 WeakPolarHBondContact O-CG 3.45Å; S267-L271 PolarHBondContact O-N 3.01Å
268Q63.7Low63.7Low120 Ų120109.7 Ų109.756%0.56161%0.608SS**Hα-helixtrans-70.2-33.9176.1-71.2177.33.100112.9Q264 Q265 Q266 L271 H272Q264-Q268 WeakPolarHBondContact O-CG 3.42Å; Q264-Q268 PolarHBondContact O-N 2.71Å; Q265-Q268 PolarHBondContact O-N 3.22Å; Q266-Q268 VanDerWaalsContact C-N 3.33Å; Q266-Q268 PolarHBondContact O-N 3.04Å; Q268-L271 PolarHBondContact O-N 2.93Å; Q268-H272 PolarHBondContact O-N 3.19Å; Q268-H272 PolarHBondContact O-ND1 3.26Å
269A63.1Low61Low62 Ų62109.1 Ų109.151%0.51262%0.624SS.*Hα-helixtrans-67.7-42.2175.200000112Q265 Q266 L271 H272 S273Q265-A269 PolarHBondContact O-N 3.21Å; Q266-A269 PolarHBondContact O-N 2.96Å; A269-L271 VanDerWaalsContact C-N 3.34Å; A269-L271 PolarHBondContact O-N 3.45Å; A269-H272 PolarHBondContact O-N 2.67Å; A269-S273 PolarHBondContact O-N 3.49Å
270L58.6Low58.7Low122 Ų122108.5 Ų108.564%0.63964%0.638SS**Hα-helixtrans-58.2-44.9173.5-79.4161.8000111.6Q266 H272 S273Q266-L270 PolarHBondContact O-N 2.99Å; L270-H272 VanDerWaalsContact C-N 3.31Å; L270-H272 PolarHBondContact O-N 2.98Å; L270-S273 WeakPolarHBondContact O-CB 3.5Å; L270-S273 PolarHBondContact O-N 3.36Å; L270-S273 VanDerWaalsContact O-N 3.13Å; L270-S273 PolarHBondContact O-OG 3.19Å
271L53.3Low56.4Low131 Ų131109.1 Ų109.169%0.68665%0.654SS**Hα-helixtrans-63.1-31.3176.7-73.8165.6000113.9S267 Q268 A269 S274S267-L271 WeakPolarHBondContact O-CG 3.45Å; S267-L271 PolarHBondContact O-N 3.01Å; Q268-L271 PolarHBondContact O-N 2.93Å; A269-L271 VanDerWaalsContact C-N 3.34Å; A269-L271 PolarHBondContact O-N 3.45Å; L271-S274 PolarHBondContact O-OG 3.13Å
272H54.8Low53.9Low154 Ų154114.4 Ų114.471%0.71367%0.672SS**Hα-helixtrans-79.3-26.5173.5-77.681.7000113.2Q268 A269 L270 S274 G275Q268-H272 PolarHBondContact O-N 3.19Å; Q268-H272 PolarHBondContact O-ND1 3.26Å; A269-H272 PolarHBondContact O-N 2.67Å; L270-H272 VanDerWaalsContact C-N 3.31Å; L270-H272 PolarHBondContact O-N 2.98Å; H272-S274 VanDerWaalsContact C-N 3.27Å; H272-S274 PolarHBondContact O-N 3.34Å; H272-G275 PolarHBondContact O-N 3.07Å; H272-G275 VanDerWaalsContact O-N 3.07Å
273S51.5Low51.6Low86 Ų86120.5 Ų120.560%0.60169%0.694SS**Hα-helixtrans-65.3-28.1179.875.70000113.6A269 L270 G275A269-S273 PolarHBondContact O-N 3.49Å; L270-S273 WeakPolarHBondContact O-CB 3.5Å; L270-S273 PolarHBondContact O-N 3.36Å; L270-S273 VanDerWaalsContact O-N 3.13Å; L270-S273 PolarHBondContact O-OG 3.19Å; S273-G275 PolarHBondContact O-N 3.03Å
274S48.5Very low49.4Very low101 Ų101121.4 Ų121.471%0.70670%0.703SS**THydrogen-bonded Turntrans-75.95172.645.70000114.7L271 H272L271-S274 PolarHBondContact O-OG 3.13Å; H272-S274 VanDerWaalsContact C-N 3.27Å; H272-S274 PolarHBondContact O-N 3.34Å
275G42.7Very low47.2Very low59 Ų59124.6 Ų124.661%0.60872%0.718SS**THydrogen-bonded Turntrans-98.6-0.2-17200000117.1H272 S273H272-G275 PolarHBondContact O-N 3.07Å; H272-G275 VanDerWaalsContact O-N 3.07Å; S273-G275 PolarHBondContact O-N 3.03Å
276Q36.7Very low44.7Very low178 Ų178126.4 Ų126.483%0.83273%0.731SS**  trans-94.8122.7-179.9-69.5-163.7-3.200112.6A278Q276-A278 PolarHBondContact O-N 3.3Å
277P38.3Very low43.2Very low122 Ų122124.7 Ų124.779%0.79273%0.731SS**  trans-73.2115.1170.729.6-32.2000109.8A279P277-A279 PolarHBondContact O-N 3.13Å; P277-A279 VanDerWaalsContact O-N 3.13Å
278A34.2Very low41.1Very low101 Ų101126.4 Ų126.484%0.83574%0.743SS**  trans-64.8112.6175.500000110.6Q276 A280Q276-A278 PolarHBondContact O-N 3.3Å; A278-A280 PolarHBondContact O-N 3.45Å
279A33.3Very low39.3Very low97 Ų97128.2 Ų128.280%0.80275%0.754SS**  trans-65.5117.6173.300000109.6P277 S281P277-A279 PolarHBondContact O-N 3.13Å; P277-A279 VanDerWaalsContact O-N 3.13Å; A279-S281 PolarHBondContact O-N 3.23Å
280A33.7Very low37.4Very low97 Ų97133.3 Ų133.380%0.80277%0.767SS**  trans-65.8132.7-177.700000111.3A278A278-A280 PolarHBondContact O-N 3.45Å
281S33.3Very low35.8Very low121 Ų121136.7 Ų136.785%0.84678%0.777SS**  trans-136.9115.1166.2-74.60000108.2A279A279-S281 PolarHBondContact O-N 3.23Å
282Q33.9Very low35.1Very low184 Ų184135.1 Ų135.186%0.8677%0.774SS**  trans-84138-174.4-61.7170.4-12.400110.4
283F32.8Very low33.8Very low216 Ų216136.2 Ų136.295%0.94778%0.78SS**  trans-146.5166.7143.6-106-74.3000110
284L31Very low32.6Very low156 Ų156139.5 Ų139.582%0.81779%0.791SS**  trans-115.4168.9-149.9-97.8161.6000114.8
285Q30.4Very low31.6Very low190 Ų190139.2 Ų139.289%0.88879%0.794SS**  trans92.7156.7161.3-74.5167.8-28.900119.9
286L24.4Very low30.8Very low164 Ų164143.7 Ų143.786%0.85980%0.803SS**  trans-134.3-175.7-156.7-129.668.8000106.9
287P40Very low30.4Very low98 Ų98143.9 Ų143.964%0.63680%0.804SS**  cis-137.3173.9-9.340.2-22.9000116.4
288S25.9Very low29.9Very low95 Ų95142.6 Ų142.666%0.66480%0.804SS**  trans61.3154.1148.271.50000119.4
289M24.9Very low29.3Very low159 Ų159141.5 Ų141.578%0.78380%0.803SS**  cis-124.1-175.73.7-69.4-77.1-176.300109.4
290Q24.3Very low29.6Very low169 Ų169142.9 Ų142.979%0.7980%0.803SS**  cis-153.5-164.13.6-144.4160.3-2.100111.1
291F23.3Very low29.2Very low192 Ų192143 Ų14384%0.84281%0.805SS**  trans-155.4177176.5-102.6-83000107.4
292P38.9Very low29Very low98 Ų98142.6 Ų142.664%0.63681%0.808SS**  cis-131.6179.5-14.639.1-23.7000114.1
293Q27.4Very low28.5Very low178 Ų178136.6 Ų136.683%0.83280%0.796SS**  -163.4118.5125.3-112173.912.700115.3
294N27.7Very low28.2Very low154 Ų154135.1 Ų135.182%0.82479%0.792SS**  trans37139.7142.8-58-1.1000123.3
295A26Very low28Very low95 Ų95139.3 Ų139.379%0.78580%0.797SS**  trans-140.6151.3168.800000112.1
296L26.2Very low27.8Very low153 Ų153136.3 Ų136.380%0.80180%0.797SS**  trans-145.5119.5164.9-68.5175.7000106.3
297Q29.6Very low27.9Very low182 Ų182133 Ų13385%0.8579%0.793SS**  68.9139.473.9-69.2-173.30.900115.4
298A26.8Very low27.5Very low95 Ų95134.2 Ų134.279%0.78580%0.801SS**  cis-172.1125.6-23.700000113.3
299G22.3Very low27.5Very low78 Ų78140.7 Ų140.780%0.80481%0.812SS**  trans69.8-176.215400000120
300P38.9Very low27.7Very low126 Ų126141.2 Ų141.282%0.81882%0.818SS**  cis-140.1155.9-541.2-23.9000118.6
301A26.1Very low27.9Very low101 Ų101142.5 Ų142.584%0.83582%0.824SS**  trans72.5152.9139.700000125.1
302A27.5Very low28Very low111 Ų111136.9 Ų136.992%0.91782%0.82SS**  trans68.1146.6168.800000118.9
303G23.7Very low27.6Very low59 Ų59138.6 Ų138.661%0.60883%0.831SS**  cis169.7158.4-7.600000113.2
304H27.7Very low27.6Very low185 Ų185135 Ų13586%0.85683%0.832SS**  trans68.6107179.8-53.2-90.7000115.6
305R26.1Very low27.4Very low243 Ų243131.1 Ų131.192%0.91783%0.828SS**  72.197.768.9-75.9-165172.9-171.9-0.8114.8
306S26Very low27.7Very low127 Ų127132.4 Ų132.489%0.88883%0.829SS**  trans-73.1162157.141.40000112
307A25.8Very low27.6Very low95 Ų95133.4 Ų133.479%0.78583%0.829SS**  trans-130.6149.9175.900000110.7
308P33.3Very low27.4Very low123 Ų123133.3 Ų133.380%0.79983%0.829SS**  trans-96.6173-166.338.3-37.5000115.1
309Y26Very low27.3Very low231 Ų231133.1 Ų133.191%0.90682%0.822SS**  trans-58.6155167.1-75-100.1000112.9
310L28.7Very low27.4Very low171 Ų171136.5 Ų136.590%0.89582%0.821SS**  trans-128.1140.9165.3-86169.3000110.9
311Q27.9Very low26.8Very low195 Ų195137.3 Ų137.391%0.91182%0.824SS**  trans-90.4152.4171.8-66.7166.7-37.300109.9
312G24.8Very low26.8Very low74 Ų74141.4 Ų141.476%0.76383%0.826SS**  trans-94.5165.7176.800000114
313P32Very low26.7Very low135 Ų135140.6 Ų140.688%0.87782%0.819SS**  trans-99.7176.1169.238.1-32000113
314A26.8Very low26.8Very low102 Ų102143.8 Ų143.884%0.84383%0.832SS**  trans-83.2165.4-174.300000115
315G23.7Very low26.7Very low72 Ų72139.3 Ų139.374%0.74283%0.827SS**  trans-91.9-163.1176.700000114.6
316P31Very low26.6Very low123 Ų123132.4 Ų132.480%0.79982%0.822SS**  trans-145.7140.1132.537-21.9000117.1
317Q24.9Very low26.4Very low174 Ų174131.9 Ų131.981%0.81382%0.817SS**  trans46.3145136-66.1-174.5-26.100125.3
318Q26.2Very low26.3Very low179 Ų179135.6 Ų135.684%0.83682%0.823SS**  trans74.8144.5155-74.6169.6-5.500118.6
319S23.5Very low25.9Very low92 Ų92136.5 Ų136.564%0.64382%0.821SS**  cis-164.8154.8-5.945.20000112.9
320D24.1Very low26.5Very low149 Ų149130.5 Ų130.580%0.79781%0.81SS**  trans52.2136.8156.9-50.2-33000120.8
321T27.8Very low26.5Very low142 Ų142131.6 Ų131.687%0.87181%0.808SS**  -169.9-179.668.5-53.30000111.7
322Q25Very low27.1Very low188 Ų188128.4 Ų128.488%0.87980%0.804SS**  trans-106.1154.3-161.1-54.5166-19.800117.7
323A26.9Very low27.1Very low94 Ų94128.4 Ų128.478%0.77780%0.804SS**  trans155.6127.714300000110.3
324S23.8Very low27Very low125 Ų125128.9 Ų128.987%0.87480%0.804SS**  66.9133.154.8-710000115.9
325A25.9Very low27.5Very low91 Ų91129 Ų12975%0.75280%0.797SS**  cis-170.6159.8-14.200000111.5
326A24.6Very low27.6Very low98 Ų98131.2 Ų131.281%0.8180%0.8SS**  trans55.6141166.400000119.4
327C21.5Very low27.5Very low116 Ų116135.9 Ų135.978%0.78480%0.802SS**  cis90110.820.1-165.10000116.6
328L25.1Very low27.5Very low174 Ų174131.7 Ų131.791%0.91180%0.797SS**  172.4148.4129.7-92166.2000114.5
329D23.9Very low27.6Very low142 Ų142132.3 Ų132.376%0.75979%0.793SS**  trans-101.7-163.5170.3-133.2-29.4000108.5
330P39.6Very low28Very low105 Ų105133.6 Ų133.668%0.68280%0.799SS**  cis-148161.515.244.5-23.8000120.4
331K27.2Very low28.1Very low193 Ų193132.8 Ų132.884%0.83980%0.8SS**  trans46.5-175.3134.7-69.8-175.7176.3174.50121.3
332P41.4Very low28Very low129 Ų129130.6 Ų130.684%0.83879%0.79SS**  cis-130.4179.1-6.842.2-24.9000117.5
333G25.3Very low28.2Very low74 Ų74128.8 Ų128.876%0.76378%0.783SS**  trans-175141.6168.700000114.3
334V28.5Very low28.2Very low144 Ų144132.2 Ų132.287%0.87378%0.783SS**  trans-162.3159.9-158.41530000108.9
335P38.5Very low28.4Very low106 Ų106136.1 Ų136.169%0.68878%0.78SS**  cis-137.4-178.710.642.6-23.8000119.2
336S25.4Very low28.5Very low117 Ų117136.8 Ų136.882%0.81878%0.779SS**  trans54.4133.8138.3-69.90000126.2
337R28.7Very low28.7Very low221 Ų221142.5 Ų142.583%0.83478%0.781SS**  -162.4162.2101.4-144.5170-176.7146.91.2112.6
338A24.1Very low29.2Very low86 Ų86146 Ų14671%0.71179%0.786SS**  trans-138.1155.8177.800000111.8
339Y28.7Very low29.4Very low193 Ų193142 Ų14276%0.75778%0.778SS**  trans-149.2136.6168.5-87-77.5000110.9
340P31.6Very low30.1Very low118 Ų118141.1 Ų141.177%0.76678%0.78SS**  trans-97.4151.6173.236.9-32.3000112.3
341V27.5Very low29.8Very low133 Ų133141.8 Ų141.881%0.80679%0.786SS**  trans-134.6123161.6-1800000108.5
342S24.7Very low30.2Very low95 Ų95142.1 Ų142.166%0.66479%0.788SS**  trans-101.5135.5169.31780000109.1
343M28.6Very low30.2Very low150 Ų150143.1 Ų143.174%0.73979%0.786SS**  trans-141.9112.5164.4-79.9-62.2162.100109.6
344H27.8Very low30.9Very low166 Ų166154.3 Ų154.377%0.76981%0.805SS**  trans-74128.1162.2-82.6-92.6000109.2
345Y28.6Very low31.1Very low207 Ų207154.9 Ų154.981%0.81280%0.802SS**  trans-133.1106.9156.1-89.2-78.5000110
346S28Very low30.7Very low106 Ų106157.4 Ų157.474%0.74181%0.808SS**  trans-85.1128170.3-54.70000108.9
347Y29Very low31Very low218 Ų218159.7 Ų159.786%0.85581%0.807SS**  trans-140.5109.2165-125.7-90.6000109.8
348Q30.5Very low31.1Very low190 Ų190156.1 Ų156.189%0.88881%0.806SS**  trans-92.1134.6165.4-70.4178.2-5800108.2
349A29.3Very low31.5Very low90 Ų90160.4 Ų160.474%0.74481%0.812SS**  trans-128.9108.9169.900000108.2
350P40.1Very low31.7Very low123 Ų123158.3 Ų158.380%0.79982%0.815SS**  trans-92114-178.333-30.1000111.3
351C32.9Very low31.7Very low118 Ų118161.1 Ų161.180%0.79782%0.819SS**  trans-142.375.4175.1-81.50000112.4
352F34.7Very low32.1Very low201 Ų201163.3 Ų163.388%0.88282%0.82SS**  trans-156.3102.3153.1-92.7-64000109.1
353D41Very low32.7Very low149 Ų149169 Ų16980%0.79783%0.833SS**  trans-158.4125.8157.9-147.9-18.2000110
354R41.4Very low33Very low310 Ų310170.7 Ų170.7100%1.1784%0.841SS**  trans71.20177.7-51.2-172.2-179.7-146.9-4.5118.5

Retrieved 354 of 354 residues in 634.3 ms (Link to these results)

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